2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide

C23H31NO — CID 91134659

IUPAC2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide
SMILESCCC(C)(CC(CC(C)C)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H31NO/c1-5-23(4,22(25)24-21-14-10-7-11-15-21)17-20(16-18(2)3)19-12-8-6-9-13-19/h6-15,18,20H,5,16-17H2,1-4H3,(H,24,25)
InChIKeyBWBANPDSSKKDAH-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.26
Rot. Bonds8

About 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide

2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide (PubChem CID 91134659) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide.

Molecular Properties

Compound Name2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide
PubChem CID91134659
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide
SMILESCCC(C)(CC(CC(C)C)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H31NO/c1-5-23(4,22(25)24-21-14-10-7-11-15-21)17-20(16-18(2)3)19-12-8-6-9-13-19/h6-15,18,20H,5,16-17H2,1-4H3,(H,24,25)
InChIKeyBWBANPDSSKKDAH-UHFFFAOYSA-N
XLogP6.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-isocyano-4-methyl-N-phenylpentanamide
CID 71322028
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
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
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
2,3-dichloro-2-methyl-N-phenylpentanamide
CID 154355250
2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide
CID 174555977
2,6-dimethyloctane;2,2-dimethyl-N-phenylbutanamide
CID 174845109
2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
CID 67891223
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
4-methyl-N-phenyl-2-sulfanylpentanamide
CID 162738947

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide?
The IUPAC name of 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide (CID 91134659) is 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide.
What is the SMILES notation for 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide?
The canonical SMILES for 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide is CCC(C)(CC(CC(C)C)c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide?
The InChIKey is BWBANPDSSKKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-5-23(4,22(25)24-21-14-10-7-11-15-21)17-20(16-18(2)3)19-12-8-6-9-13-19/h6-15,18,20H,5,16-17H2,1-4H3,(H,24,25).
What are the key properties of 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide?
2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide has a molecular weight of 337.51 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide is sourced from PubChem (CID 91134659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).