N,N-bis(2-ethylhexyl)-2-methylpropanamide

C20H41NO — CID 532801

IUPACN,N-bis(2-ethylhexyl)-2-methylpropanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)C
InChIInChI=1S/C20H41NO/c1-7-11-13-18(9-3)15-21(20(22)17(5)6)16-19(10-4)14-12-8-2/h17-19H,7-16H2,1-6H3
InChIKeyTYDFWJHDNHXBRF-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.90
Rot. Bonds13

About N,N-bis(2-ethylhexyl)-2-methylpropanamide

N,N-bis(2-ethylhexyl)-2-methylpropanamide (PubChem CID 532801) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-2-methylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-2-methylpropanamide
PubChem CID532801
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN,N-bis(2-ethylhexyl)-2-methylpropanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)C
InChIInChI=1S/C20H41NO/c1-7-11-13-18(9-3)15-21(20(22)17(5)6)16-19(10-4)14-12-8-2/h17-19H,7-16H2,1-6H3
InChIKeyTYDFWJHDNHXBRF-UHFFFAOYSA-N
XLogP5.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(2-ethylhexyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-2-methylpropanamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-2-methylpropanamide (CID 532801) is N,N-bis(2-ethylhexyl)-2-methylpropanamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-2-methylpropanamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-2-methylpropanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)C.
What is the InChIKey of N,N-bis(2-ethylhexyl)-2-methylpropanamide?
The InChIKey is TYDFWJHDNHXBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-7-11-13-18(9-3)15-21(20(22)17(5)6)16-19(10-4)14-12-8-2/h17-19H,7-16H2,1-6H3.
What are the key properties of N,N-bis(2-ethylhexyl)-2-methylpropanamide?
N,N-bis(2-ethylhexyl)-2-methylpropanamide has a molecular weight of 311.55 g/mol, XLogP of 5.90, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-2-methylpropanamide is sourced from PubChem (CID 532801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).