N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide

C26H36N2O2 — CID 172539665

About N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide

N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 172539665) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
• PubChem CID: 172539665
• Molecular Formula: C26H36N2O2
• Molecular Weight: 408.59 g/mol
• Exact Mass: 408.28
• IUPAC Name: N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
• SMILES: CC(C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C1CCC(C(C)C)CC1
• InChI: InChI=1S/C26H36N2O2/c1-17(2)20-11-13-22(14-12-20)25(29)28-24(26(30)27-18(3)4)16-19-9-10-21-7-5-6-8-23(21)15-19/h5-10,15,17-18,20,22,24H,11-14,16H2,1-4H3,(H,27,30)(H,28,29)/t20?,22?,24-/m0/s1
• InChIKey: NCOKPRLUSPCZGT-JVPYDEADSA-N
• XLogP: 4.85
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.59
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?

The IUPAC name of N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide (CID 172539665) is N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide.

What is the SMILES notation for N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?

The canonical SMILES for N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C1CCC(C(C)C)CC1.

What is the InChIKey of N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?

The InChIKey is NCOKPRLUSPCZGT-JVPYDEADSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-17(2)20-11-13-22(14-12-20)25(29)28-24(26(30)27-18(3)4)16-19-9-10-21-7-5-6-8-23(21)15-19/h5-10,15,17-18,20,22,24H,11-14,16H2,1-4H3,(H,27,30)(H,28,29)/t20?,22?,24-/m0/s1.

What are the key properties of N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?

N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 172539665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).