(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide

C27H36N2O2 — CID 100608811

IUPAC(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C27H36N2O2/c1-3-25(27(31)28-24-15-8-5-9-16-24)29(18-17-22-12-6-4-7-13-22)26(30)20-23-14-10-11-21(2)19-23/h4,6-7,10-14,19,24-25H,3,5,8-9,15-18,20H2,1-2H3,(H,28,31)/t25-/m0/s1
InChIKeyLUFXQCVBOSXSRD-VWLOTQADSA-N
MW420.60 g/mol
LogP4.84
Rot. Bonds9

About (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide

(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 100608811) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID100608811
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C27H36N2O2/c1-3-25(27(31)28-24-15-8-5-9-16-24)29(18-17-22-12-6-4-7-13-22)26(30)20-23-14-10-11-21(2)19-23/h4,6-7,10-14,19,24-25H,3,5,8-9,15-18,20H2,1-2H3,(H,28,31)/t25-/m0/s1
InChIKeyLUFXQCVBOSXSRD-VWLOTQADSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide with MolForge

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Related Compounds

(2R)-N-cyclohexyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 100601484
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100607515
(2S)-N-cyclohexyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 100608397
N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132947792
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132763943
2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132702829
N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132653247
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 100606311
N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
CID 132615507
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263660
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100542409
N-cyclohexyl-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 132615014

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (CID 100608811) is (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is LUFXQCVBOSXSRD-VWLOTQADSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-3-25(27(31)28-24-15-8-5-9-16-24)29(18-17-22-12-6-4-7-13-22)26(30)20-23-14-10-11-21(2)19-23/h4,6-7,10-14,19,24-25H,3,5,8-9,15-18,20H2,1-2H3,(H,28,31)/t25-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 420.60 g/mol, XLogP of 4.84, 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-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 100608811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).