(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide

C28H38N2O2 — CID 100535535

IUPAC(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C28H38N2O2/c1-5-26(28(32)29-25-13-7-6-8-14-25)30(19-24-12-10-9-11-22(24)4)27(31)18-23-16-20(2)15-21(3)17-23/h9-12,15-17,25-26H,5-8,13-14,18-19H2,1-4H3,(H,29,32)/t26-/m0/s1
InChIKeyDNHXXHKFDYQRMW-SANMLTNESA-N
MW434.62 g/mol
LogP5.41
Rot. Bonds8

About (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide

(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide (PubChem CID 100535535) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
PubChem CID100535535
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C28H38N2O2/c1-5-26(28(32)29-25-13-7-6-8-14-25)30(19-24-12-10-9-11-22(24)4)27(31)18-23-16-20(2)15-21(3)17-23/h9-12,15-17,25-26H,5-8,13-14,18-19H2,1-4H3,(H,29,32)/t26-/m0/s1
InChIKeyDNHXXHKFDYQRMW-SANMLTNESA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132986134
2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132610464
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132610236
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide
CID 132617939
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650
(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100533134
2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132761148
N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132947792
N-cyclohexyl-2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132614709
(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100576330
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132763943
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132611333

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide (CID 100535535) is (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide is CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The InChIKey is DNHXXHKFDYQRMW-SANMLTNESA-N. The full InChI is InChI=1S/C28H38N2O2/c1-5-26(28(32)29-25-13-7-6-8-14-25)30(19-24-12-10-9-11-22(24)4)27(31)18-23-16-20(2)15-21(3)17-23/h9-12,15-17,25-26H,5-8,13-14,18-19H2,1-4H3,(H,29,32)/t26-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide has a molecular weight of 434.62 g/mol, XLogP of 5.41, 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-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 100535535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).