2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide

C21H42N2O2 — CID 2931594

IUPAC2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide
SMILESCCCCC(CC)C(=O)NCC(C)(C)CNC(=O)C(CC)CCCC
InChIInChI=1S/C21H42N2O2/c1-7-11-13-17(9-3)19(24)22-15-21(5,6)16-23-20(25)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyKEPBYSCSYYGEIU-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.68
Rot. Bonds14

About 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide

2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide (PubChem CID 2931594) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide
PubChem CID2931594
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide
SMILESCCCCC(CC)C(=O)NCC(C)(C)CNC(=O)C(CC)CCCC
InChIInChI=1S/C21H42N2O2/c1-7-11-13-17(9-3)19(24)22-15-21(5,6)16-23-20(25)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyKEPBYSCSYYGEIU-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Isostearamidopropyl Dimethylamine
CID 105621
N-cyclohexanecarbonylpentadecylamine
CID 44398718
3-cyclopentyl-N-{3-[(3-cyclopentylpropanoyl)amino]propyl}propanamide
CID 2931892
3-cyclopentyl-N-{3-[(3-cyclopentylpropanoyl)amino]-2,2-dimethylpropyl}propanamide
CID 3940466
N-(2-methylbutyl)dodecanamide
CID 122184887
Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
Isononanamide, N-(2-ethylhexyl)-
CID 15334712
N,N'-(iminodiethylene)bis(isononan-1-amide)
CID 44146389
Octanamide, N-(5-amino-2-methylpentyl)-
CID 85630598
N-{6-[(cyclopentylcarbonyl)amino]hexyl}cyclopentanecarboxamide
CID 3636547
N-hexadecylcyclopentanecarboxamide
CID 46230476

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide?
The IUPAC name of 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide (CID 2931594) is 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide?
The canonical SMILES for 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide is CCCCC(CC)C(=O)NCC(C)(C)CNC(=O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide?
The InChIKey is KEPBYSCSYYGEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-7-11-13-17(9-3)19(24)22-15-21(5,6)16-23-20(25)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3,(H,22,24)(H,23,25).
What are the key properties of 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide?
2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide has a molecular weight of 354.58 g/mol, XLogP of 4.68, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide is sourced from PubChem (CID 2931594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).