N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C34H35N3O4 — CID 98101465

About N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 98101465) has the molecular formula C34H35N3O4 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 98101465
• Molecular Formula: C34H35N3O4
• Molecular Weight: 549.67 g/mol
• Exact Mass: 549.26
• IUPAC Name: N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• SMILES: CCn1c2ccccc2c2cc([C@@H](C(=O)NC3CCCC3)N(Cc3ccc(OC)cc3)C(=O)c3ccco3)ccc21
• InChI: InChI=1S/C34H35N3O4/c1-3-36-29-12-7-6-11-27(29)28-21-24(16-19-30(28)36)32(33(38)35-25-9-4-5-10-25)37(34(39)31-13-8-20-41-31)22-23-14-17-26(40-2)18-15-23/h6-8,11-21,25,32H,3-5,9-10,22H2,1-2H3,(H,35,38)/t32-/m0/s1
• InChIKey: AHXYZAXFCOVTSV-YTTGMZPUSA-N
• XLogP: 6.86
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.67
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 98101465) is N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is CCn1c2ccccc2c2cc([C@@H](C(=O)NC3CCCC3)N(Cc3ccc(OC)cc3)C(=O)c3ccco3)ccc21.

What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The InChIKey is AHXYZAXFCOVTSV-YTTGMZPUSA-N. The full InChI is InChI=1S/C34H35N3O4/c1-3-36-29-12-7-6-11-27(29)28-21-24(16-19-30(28)36)32(33(38)35-25-9-4-5-10-25)37(34(39)31-13-8-20-41-31)22-23-14-17-26(40-2)18-15-23/h6-8,11-21,25,32H,3-5,9-10,22H2,1-2H3,(H,35,38)/t32-/m0/s1.

What are the key properties of N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 549.67 g/mol, XLogP of 6.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclopentylamino)-1-(9-ethylcarbazol-3-yl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 98101465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).