(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide

C29H34N2O — CID 94233334

IUPAC(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
SMILESCc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C29H34N2O/c1-23-17-19-26(20-18-23)28(29(32)30-27-15-9-4-10-16-27)31(21-24-11-5-2-6-12-24)22-25-13-7-3-8-14-25/h2-3,5-8,11-14,17-20,27-28H,4,9-10,15-16,21-22H2,1H3,(H,30,32)/t28-/m0/s1
InChIKeyVNCMFBNLMGJGRH-NDEPHWFRSA-N
MW426.60 g/mol
LogP6.19
Rot. Bonds8

About (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide

(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide (PubChem CID 94233334) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
PubChem CID94233334
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
SMILESCc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C29H34N2O/c1-23-17-19-26(20-18-23)28(29(32)30-27-15-9-4-10-16-27)31(21-24-11-5-2-6-12-24)22-25-13-7-3-8-14-25/h2-3,5-8,11-14,17-20,27-28H,4,9-10,15-16,21-22H2,1H3,(H,30,32)/t28-/m0/s1
InChIKeyVNCMFBNLMGJGRH-NDEPHWFRSA-N
XLogP6.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 86809828
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100589536
2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 132985536
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132985498
(2S)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 100547623
(2R)-2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclohexylbutanamide
CID 100522257
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196980
N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide
CID 4177936
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688312
N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 100590102

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide (CID 94233334) is (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide is Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide?
The InChIKey is VNCMFBNLMGJGRH-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H34N2O/c1-23-17-19-26(20-18-23)28(29(32)30-27-15-9-4-10-16-27)31(21-24-11-5-2-6-12-24)22-25-13-7-3-8-14-25/h2-3,5-8,11-14,17-20,27-28H,4,9-10,15-16,21-22H2,1H3,(H,30,32)/t28-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide?
(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide has a molecular weight of 426.60 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 94233334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).