(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide

C21H32N2O2 — CID 100528481

IUPAC(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
SMILESCCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC1CCCCC1
InChIInChI=1S/C21H32N2O2/c1-3-11-20(24)23(16-17-12-7-5-8-13-17)19(4-2)21(25)22-18-14-9-6-10-15-18/h5,7-8,12-13,18-19H,3-4,6,9-11,14-16H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyNRLXLZSEQGMAJN-IBGZPJMESA-N
MW344.50 g/mol
LogP4.04
Rot. Bonds8

About (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide

(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide (PubChem CID 100528481) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
PubChem CID100528481
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
SMILESCCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC1CCCCC1
InChIInChI=1S/C21H32N2O2/c1-3-11-20(24)23(16-17-12-7-5-8-13-17)19(4-2)21(25)22-18-14-9-6-10-15-18/h5,7-8,12-13,18-19H,3-4,6,9-11,14-16H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyNRLXLZSEQGMAJN-IBGZPJMESA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
CID 100527162
N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 100590102
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650
2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132761148
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132986143
(2S)-2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylbutanamide
CID 100522229
2-[benzyl-[4-(4-methoxyphenoxy)butanoyl]amino]-N-cyclohexylbutanamide
CID 132614951
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100562670
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 132618643
N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2-methylphenyl)methyl]butanamide
CID 100580796
N-[(3-bromophenyl)methyl]-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 100632468
2-[butanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132763541

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide?
The IUPAC name of (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide (CID 100528481) is (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide.
What is the SMILES notation for (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide?
The canonical SMILES for (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide is CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide?
The InChIKey is NRLXLZSEQGMAJN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-11-20(24)23(16-17-12-7-5-8-13-17)19(4-2)21(25)22-18-14-9-6-10-15-18/h5,7-8,12-13,18-19H,3-4,6,9-11,14-16H2,1-2H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide?
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide has a molecular weight of 344.50 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide is sourced from PubChem (CID 100528481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).