N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium

C90H202N14O18P2+2 — CID 160819599

IUPACN-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium
SMILESC.C.CC(C(=O)NCCN(C)C)C(C)(C)C.CC(C(=O)NCCO)C(C)(C)C.CC(C(=O)NCC[N+](C)(C)C)C(C)(C)C.CC(C(=O)NCC[N+](C)(C)CCCP(=O)(O)O[O-])C(C)(C)C.CC(C)(C)CC(=O)NCCO.CC(C)(C)CC(=O)NCC[N+](C)(C)C.CC(C)(C)CC(=O)NCC[N+](C)(C)CCCP(=O)(O)O[O-].CN(C)CCNC(=O)CC(C)(C)C
InChIInChI=1S/C14H31N2O5P.C13H29N2O5P.C12H26N2O.2C11H24N2O.C10H22N2O.C9H19NO2.C8H17NO2.2CH4/c1-12(14(2,3)4)13(17)15-8-10-16(5,6)9-7-11-22(19,20)21-18;1-13(2,3)11-12(16)14-7-9-15(4,5)8-6-10-21(18,19)20-17;1-10(12(2,3)4)11(15)13-8-9-14(5,6)7;1-11(2,3)9-10(14)12-7-8-13(4,5)6;1-9(11(2,3)4)10(14)12-7-8-13(5)6;1-10(2,3)8-9(13)11-6-7-12(4)5;1-7(9(2,3)4)8(12)10-5-6-11;1-8(2,3)6-7(11)9-4-5-10;;/h12H,7-11H2,1-6H3,(H2-,15,17,18,19,20);6-11H2,1-5H3,(H2-,14,16,17,18,19);10H,8-9H2,1-7H3;7-9H2,1-6H3;9H,7-8H2,1-6H3,(H,12,14);6-8H2,1-5H3,(H,11,13);7,11H,5-6H2,1-4H3,(H,10,12);10H,4-6H2,1-3H3,(H,9,11);2*1H4/p+2
InChIKeySFIZRUJLKGMOHV-UHFFFAOYSA-P
MW1830.63 g/mol
LogP8.97
Rot. Bonds40

About N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium

N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium (PubChem CID 160819599) has the molecular formula C90H202N14O18P2+2 and a molecular weight of 1830.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium
PubChem CID160819599
Molecular FormulaC90H202N14O18P2+2
Molecular Weight1830.63 g/mol
Exact Mass1829.48
IUPAC NameN-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium
SMILESC.C.CC(C(=O)NCCN(C)C)C(C)(C)C.CC(C(=O)NCCO)C(C)(C)C.CC(C(=O)NCC[N+](C)(C)C)C(C)(C)C.CC(C(=O)NCC[N+](C)(C)CCCP(=O)(O)O[O-])C(C)(C)C.CC(C)(C)CC(=O)NCCO.CC(C)(C)CC(=O)NCC[N+](C)(C)C.CC(C)(C)CC(=O)NCC[N+](C)(C)CCCP(=O)(O)O[O-].CN(C)CCNC(=O)CC(C)(C)C
InChIInChI=1S/C14H31N2O5P.C13H29N2O5P.C12H26N2O.2C11H24N2O.C10H22N2O.C9H19NO2.C8H17NO2.2CH4/c1-12(14(2,3)4)13(17)15-8-10-16(5,6)9-7-11-22(19,20)21-18;1-13(2,3)11-12(16)14-7-9-15(4,5)8-6-10-21(18,19)20-17;1-10(12(2,3)4)11(15)13-8-9-14(5,6)7;1-11(2,3)9-10(14)12-7-8-13(4,5)6;1-9(11(2,3)4)10(14)12-7-8-13(5)6;1-10(2,3)8-9(13)11-6-7-12(4)5;1-7(9(2,3)4)8(12)10-5-6-11;1-8(2,3)6-7(11)9-4-5-10;;/h12H,7-11H2,1-6H3,(H2-,15,17,18,19,20);6-11H2,1-5H3,(H2-,14,16,17,18,19);10H,8-9H2,1-7H3;7-9H2,1-6H3;9H,7-8H2,1-6H3,(H,12,14);6-8H2,1-5H3,(H,11,13);7,11H,5-6H2,1-4H3,(H,10,12);10H,4-6H2,1-3H3,(H,9,11);2*1H4/p+2
InChIKeySFIZRUJLKGMOHV-UHFFFAOYSA-P
XLogP8.97
TPSA418.92 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001830.63
LogP ≤ 58.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium (CID 160819599) is N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium is C.C.CC(C(=O)NCCN(C)C)C(C)(C)C.CC(C(=O)NCCO)C(C)(C)C.CC(C(=O)NCC[N+](C)(C)C)C(C)(C)C.CC(C(=O)NCC[N+](C)(C)CCCP(=O)(O)O[O-])C(C)(C)C.CC(C)(C)CC(=O)NCCO.CC(C)(C)CC(=O)NCC[N+](C)(C)C.CC(C)(C)CC(=O)NCC[N+](C)(C)CCCP(=O)(O)O[O-].CN(C)CCNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium?
The InChIKey is SFIZRUJLKGMOHV-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H31N2O5P.C13H29N2O5P.C12H26N2O.2C11H24N2O.C10H22N2O.C9H19NO2.C8H17NO2.2CH4/c1-12(14(2,3)4)13(17)15-8-10-16(5,6)9-7-11-22(19,20)21-18;1-13(2,3)11-12(16)14-7-9-15(4,5)8-6-10-21(18,19)20-17;1-10(12(2,3)4)11(15)13-8-9-14(5,6)7;1-11(2,3)9-10(14)12-7-8-13(4,5)6;1-9(11(2,3)4)10(14)12-7-8-13(5)6;1-10(2,3)8-9(13)11-6-7-12(4)5;1-7(9(2,3)4)8(12)10-5-6-11;1-8(2,3)6-7(11)9-4-5-10;;/h12H,7-11H2,1-6H3,(H2-,15,17,18,19,20);6-11H2,1-5H3,(H2-,14,16,17,18,19);10H,8-9H2,1-7H3;7-9H2,1-6H3;9H,7-8H2,1-6H3,(H,12,14);6-8H2,1-5H3,(H,11,13);7,11H,5-6H2,1-4H3,(H,10,12);10H,4-6H2,1-3H3,(H,9,11);2*1H4/p+2.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium?
N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium has a molecular weight of 1830.63 g/mol, XLogP of 8.97, 40 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-2,3,3-trimethylbutanamide;2-(3,3-dimethylbutanoylamino)ethyl-[3-[hydroxy(oxidooxy)phosphoryl]propyl]-dimethylazanium;2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium;N-(2-hydroxyethyl)-3,3-dimethylbutanamide;N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide;3-[hydroxy(oxidooxy)phosphoryl]propyl-dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium;methane;trimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azanium is sourced from PubChem (CID 160819599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).