(2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide

C24H31NO — CID 42601247

IUPAC(2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide
SMILESCCC(CC1CCCCC1)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO/c1-2-22(18-20-12-6-3-7-13-20)24(26)25(23-16-10-5-11-17-23)19-21-14-8-4-9-15-21/h4-5,8-11,14-17,20,22H,2-3,6-7,12-13,18-19H2,1H3
InChIKeyPNMAMBVKSSVIEH-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.22
Rot. Bonds7

About (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide

(2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide (PubChem CID 42601247) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide
PubChem CID42601247
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name(2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide
SMILESCCC(CC1CCCCC1)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO/c1-2-22(18-20-12-6-3-7-13-20)24(26)25(23-16-10-5-11-17-23)19-21-14-8-4-9-15-21/h4-5,8-11,14-17,20,22H,2-3,6-7,12-13,18-19H2,1H3
InChIKeyPNMAMBVKSSVIEH-UHFFFAOYSA-N
XLogP6.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide?
The IUPAC name of (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide (CID 42601247) is (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide?
The canonical SMILES for (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide is CCC(CC1CCCCC1)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide?
The InChIKey is PNMAMBVKSSVIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-2-22(18-20-12-6-3-7-13-20)24(26)25(23-16-10-5-11-17-23)19-21-14-8-4-9-15-21/h4-5,8-11,14-17,20,22H,2-3,6-7,12-13,18-19H2,1H3.
What are the key properties of (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide?
(2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide has a molecular weight of 349.52 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide is sourced from PubChem (CID 42601247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).