N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide

C18H40N4O — CID 166682601

IUPACN-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide
SMILESCC(C)N(C)CCN(C)CC(C)C(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C18H40N4O/c1-15(2)22(9)13-12-21(8)14-16(3)18(4,5)17(23)19-10-11-20(6)7/h15-16H,10-14H2,1-9H3,(H,19,23)
InChIKeyUMVNGHDUGCNUPF-UHFFFAOYSA-N
MW328.55 g/mol
LogP1.60
Rot. Bonds11

About N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide

N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide (PubChem CID 166682601) has the molecular formula C18H40N4O and a molecular weight of 328.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide
PubChem CID166682601
Molecular FormulaC18H40N4O
Molecular Weight328.55 g/mol
Exact Mass328.32
IUPAC NameN-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide
SMILESCC(C)N(C)CCN(C)CC(C)C(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C18H40N4O/c1-15(2)22(9)13-12-21(8)14-16(3)18(4,5)17(23)19-10-11-20(6)7/h15-16H,10-14H2,1-9H3,(H,19,23)
InChIKeyUMVNGHDUGCNUPF-UHFFFAOYSA-N
XLogP1.60
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-propan-2-yloxypropanamide
CID 88930452
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-2-propan-2-ylpentanamide
CID 166995281
N-[2-(dimethylamino)ethyl]-2-(hydroxyamino)-2-methylpropanamide
CID 118563431
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947361
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106033672
2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 113233457
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
CID 80550020
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide (CID 166682601) is N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide is CC(C)N(C)CCN(C)CC(C)C(C)(C)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide?
The InChIKey is UMVNGHDUGCNUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O/c1-15(2)22(9)13-12-21(8)14-16(3)18(4,5)17(23)19-10-11-20(6)7/h15-16H,10-14H2,1-9H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide?
N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide has a molecular weight of 328.55 g/mol, XLogP of 1.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,2,3-trimethyl-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]butanamide is sourced from PubChem (CID 166682601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).