(2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide

C35H44N2O2 — CID 100580058

About (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide

(2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide (PubChem CID 100580058) has the molecular formula C35H44N2O2 and a molecular weight of 524.75 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
• PubChem CID: 100580058
• Molecular Formula: C35H44N2O2
• Molecular Weight: 524.75 g/mol
• Exact Mass: 524.34
• IUPAC Name: (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
• SMILES: Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C35H44N2O2/c1-26(2)30-21-18-28(19-22-30)20-23-34(38)37(25-31-15-11-10-12-27(31)3)33(24-29-13-6-4-7-14-29)35(39)36-32-16-8-5-9-17-32/h4,6-7,10-15,18-19,21-22,26,32-33H,5,8-9,16-17,20,23-25H2,1-3H3,(H,36,39)/t33-/m1/s1
• InChIKey: JZPFQGBSMJXCRG-MGBGTMOVSA-N
• XLogP: 7.14
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.75
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide?

The IUPAC name of (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide (CID 100580058) is (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide.

What is the SMILES notation for (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide?

The canonical SMILES for (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide is Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1.

What is the InChIKey of (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide?

The InChIKey is JZPFQGBSMJXCRG-MGBGTMOVSA-N. The full InChI is InChI=1S/C35H44N2O2/c1-26(2)30-21-18-28(19-22-30)20-23-34(38)37(25-31-15-11-10-12-27(31)3)33(24-29-13-6-4-7-14-29)35(39)36-32-16-8-5-9-17-32/h4,6-7,10-15,18-19,21-22,26,32-33H,5,8-9,16-17,20,23-25H2,1-3H3,(H,36,39)/t33-/m1/s1.

What are the key properties of (2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide?

(2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide has a molecular weight of 524.75 g/mol, XLogP of 7.14, 11 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-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 100580058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).