(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide

C28H38N2O2 — CID 100547918

IUPAC(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C28H38N2O2/c1-5-26(28(32)29-25-9-7-6-8-10-25)30(19-23-15-12-20(2)13-16-23)27(31)18-24-17-21(3)11-14-22(24)4/h11-17,25-26H,5-10,18-19H2,1-4H3,(H,29,32)/t26-/m1/s1
InChIKeyJXGWJRPBLADBBS-AREMUKBSSA-N
MW434.62 g/mol
LogP5.41
Rot. Bonds8

About (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide

(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide (PubChem CID 100547918) 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]-[(4-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
PubChem CID100547918
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C28H38N2O2/c1-5-26(28(32)29-25-9-7-6-8-10-25)30(19-23-15-12-20(2)13-16-23)27(31)18-24-17-21(3)11-14-22(24)4/h11-17,25-26H,5-10,18-19H2,1-4H3,(H,29,32)/t26-/m1/s1
InChIKeyJXGWJRPBLADBBS-AREMUKBSSA-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

(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100546698
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100607515
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650
N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132614286
2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132611837
(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100533134
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132985311
N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132947792
(2S)-N-cyclohexyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100590237
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132617427
(2S)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 100547623
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132763943

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide (CID 100547918) is (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide is CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The InChIKey is JXGWJRPBLADBBS-AREMUKBSSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-5-26(28(32)29-25-9-7-6-8-10-25)30(19-23-15-12-20(2)13-16-23)27(31)18-24-17-21(3)11-14-22(24)4/h11-17,25-26H,5-10,18-19H2,1-4H3,(H,29,32)/t26-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-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 (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 100547918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).