N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide

C41H47ClN4O5 — CID 89346272

About N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide (PubChem CID 89346272) has the molecular formula C41H47ClN4O5 and a molecular weight of 711.30 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide
• PubChem CID: 89346272
• Molecular Formula: C41H47ClN4O5
• Molecular Weight: 711.30 g/mol
• Exact Mass: 710.32
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide
• SMILES: CCN(CCN(C)c1ccccc1C(=O)N1CCCCC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(=O)c2cc(C3CCCC3)ccc2o1
• InChI: InChI=1S/C41H47ClN4O5/c1-3-45(24-23-44(2)35-14-8-7-13-32(35)40(49)46-21-9-4-10-22-46)41(50)34(25-28-15-18-31(42)19-16-28)43-39(48)38-27-36(47)33-26-30(17-20-37(33)51-38)29-11-5-6-12-29/h7-8,13-20,26-27,29,34H,3-6,9-12,21-25H2,1-2H3,(H,43,48)/t34-/m1/s1
• InChIKey: NALMTPBVFRTPPF-UUWRZZSWSA-N
• XLogP: 7.06
• TPSA: 103.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.30
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide (CID 89346272) is N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide is CCN(CCN(C)c1ccccc1C(=O)N1CCCCC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(=O)c2cc(C3CCCC3)ccc2o1.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide?

The InChIKey is NALMTPBVFRTPPF-UUWRZZSWSA-N. The full InChI is InChI=1S/C41H47ClN4O5/c1-3-45(24-23-44(2)35-14-8-7-13-32(35)40(49)46-21-9-4-10-22-46)41(50)34(25-28-15-18-31(42)19-16-28)43-39(48)38-27-36(47)33-26-30(17-20-37(33)51-38)29-11-5-6-12-29/h7-8,13-20,26-27,29,34H,3-6,9-12,21-25H2,1-2H3,(H,43,48)/t34-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide has a molecular weight of 711.30 g/mol, XLogP of 7.06, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-chlorophenyl)-1-[ethyl-[2-[N-methyl-2-(piperidine-1-carbonyl)anilino]ethyl]amino]-1-oxopropan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 89346272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).