ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium

C23H45N2O+ — CID 143837735

IUPACethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium
SMILESCC.CC.CC[N+](C)(C)c1ccc(NC(=O)C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O.2C2H6/c1-9-21(7,8)16-12-10-15(11-13-16)20-17(22)19(5,6)14-18(2,3)4;2*1-2/h10-13H,9,14H2,1-8H3;2*1-2H3/p+1
InChIKeyLKBHPTPNFAGEEW-UHFFFAOYSA-O
MW365.63 g/mol
LogP6.73
Rot. Bonds5

About ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium

ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium (PubChem CID 143837735) has the molecular formula C23H45N2O+ and a molecular weight of 365.63 g/mol. Its IUPAC name is ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium.

Molecular Properties

Compound Nameethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium
PubChem CID143837735
Molecular FormulaC23H45N2O+
Molecular Weight365.63 g/mol
Exact Mass365.35
IUPAC Nameethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium
SMILESCC.CC.CC[N+](C)(C)c1ccc(NC(=O)C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O.2C2H6/c1-9-21(7,8)16-12-10-15(11-13-16)20-17(22)19(5,6)14-18(2,3)4;2*1-2/h10-13H,9,14H2,1-8H3;2*1-2H3/p+1
InChIKeyLKBHPTPNFAGEEW-UHFFFAOYSA-O
XLogP6.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.63
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2,2,4,4-tetramethylpentanamide
CID 143619432
N-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]-2,2,4,4-tetramethylpentanamide
CID 134533395
ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
CID 145483758
(4-carboxyphenyl)-ethyl-dimethylazanium
CID 22725926
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide
CID 134463643
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 144952637
2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetic acid
CID 23382692

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium?
The IUPAC name of ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium (CID 143837735) is ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium.
What is the SMILES notation for ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium?
The canonical SMILES for ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium is CC.CC.CC[N+](C)(C)c1ccc(NC(=O)C(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium?
The InChIKey is LKBHPTPNFAGEEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N2O.2C2H6/c1-9-21(7,8)16-12-10-15(11-13-16)20-17(22)19(5,6)14-18(2,3)4;2*1-2/h10-13H,9,14H2,1-8H3;2*1-2H3/p+1.
What are the key properties of ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium?
ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium has a molecular weight of 365.63 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium is sourced from PubChem (CID 143837735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).