(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide

C28H38N2O2 — CID 100533134

IUPAC(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C28H38N2O2/c1-4-26(28(32)29-25-12-6-5-7-13-25)30(20-24-11-9-8-10-22(24)3)27(31)19-18-23-16-14-21(2)15-17-23/h8-11,14-17,25-26H,4-7,12-13,18-20H2,1-3H3,(H,29,32)/t26-/m0/s1
InChIKeyRUTRXFCSDYZBBY-SANMLTNESA-N
MW434.62 g/mol
LogP5.49
Rot. Bonds9

About (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide

(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide (PubChem CID 100533134) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
PubChem CID100533134
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C28H38N2O2/c1-4-26(28(32)29-25-12-6-5-7-13-25)30(20-24-11-9-8-10-22(24)3)27(31)19-18-23-16-14-21(2)15-17-23/h8-11,14-17,25-26H,4-7,12-13,18-20H2,1-3H3,(H,29,32)/t26-/m0/s1
InChIKeyRUTRXFCSDYZBBY-SANMLTNESA-N
XLogP5.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100546698
2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132761148
(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 100548603
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132611333
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 100535535
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100547918
(2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100580058
N-cyclopentyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132986134
(2S)-2-[3-benzylsulfanylpropanoyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100534017
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132610236
N-cyclohexyl-2-[[2-(4-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132763914
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide (CID 100533134) is (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide is CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The InChIKey is RUTRXFCSDYZBBY-SANMLTNESA-N. The full InChI is InChI=1S/C28H38N2O2/c1-4-26(28(32)29-25-12-6-5-7-13-25)30(20-24-11-9-8-10-22(24)3)27(31)19-18-23-16-14-21(2)15-17-23/h8-11,14-17,25-26H,4-7,12-13,18-20H2,1-3H3,(H,29,32)/t26-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide has a molecular weight of 434.62 g/mol, XLogP of 5.49, 9 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-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide is sourced from PubChem (CID 100533134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).