(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide

C28H38N2O2 — CID 100607515

IUPAC(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C28H38N2O2/c1-4-26(28(32)29-25-13-9-6-10-14-25)30(18-17-23-11-7-5-8-12-23)27(31)20-24-19-21(2)15-16-22(24)3/h5,7-8,11-12,15-16,19,25-26H,4,6,9-10,13-14,17-18,20H2,1-3H3,(H,29,32)/t26-/m1/s1
InChIKeyMPCWVPWXXGKUTG-AREMUKBSSA-N
MW434.62 g/mol
LogP5.14
Rot. Bonds9

About (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide

(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 100607515) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID100607515
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C28H38N2O2/c1-4-26(28(32)29-25-13-9-6-10-14-25)30(18-17-23-11-7-5-8-12-23)27(31)20-24-19-21(2)15-16-22(24)3/h5,7-8,11-12,15-16,19,25-26H,4,6,9-10,13-14,17-18,20H2,1-3H3,(H,29,32)/t26-/m1/s1
InChIKeyMPCWVPWXXGKUTG-AREMUKBSSA-N
XLogP5.14
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 ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100608811
(2R)-N-cyclohexyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 100601484
2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132657067
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100547918
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 100606311
(2S)-N-cyclohexyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 100608397
N-cyclohexyl-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 132615014
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133264274
N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
CID 132615507
(2R)-N-cyclohexyl-2-[4-(4-methylphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
CID 100606400
(2S)-N-cyclohexyl-2-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]butanamide
CID 100602962

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (CID 100607515) is (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is MPCWVPWXXGKUTG-AREMUKBSSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-4-26(28(32)29-25-13-9-6-10-14-25)30(18-17-23-11-7-5-8-12-23)27(31)20-24-19-21(2)15-16-22(24)3/h5,7-8,11-12,15-16,19,25-26H,4,6,9-10,13-14,17-18,20H2,1-3H3,(H,29,32)/t26-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 434.62 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 100607515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).