N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide

C24H35N3O3 — CID 7351356

About N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 7351356) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
• PubChem CID: 7351356
• Molecular Formula: C24H35N3O3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.27
• IUPAC Name: N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
• SMILES: CC[C@H](C)N(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)C1CCCCC1
• InChI: InChI=1S/C24H35N3O3/c1-4-19(2)27(24(29)20-10-6-5-7-11-20)18-23(28)26(17-22-13-9-15-30-22)16-21-12-8-14-25(21)3/h8-9,12-15,19-20H,4-7,10-11,16-18H2,1-3H3/t19-/m0/s1
• InChIKey: ZABQZXNMHHUQOA-IBGZPJMESA-N
• XLogP: 4.35
• TPSA: 58.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide?

The IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 7351356) is N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide?

The canonical SMILES for N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide is CC[C@H](C)N(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)C1CCCCC1.

What is the InChIKey of N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide?

The InChIKey is ZABQZXNMHHUQOA-IBGZPJMESA-N. The full InChI is InChI=1S/C24H35N3O3/c1-4-19(2)27(24(29)20-10-6-5-7-11-20)18-23(28)26(17-22-13-9-15-30-22)16-21-12-8-14-25(21)3/h8-9,12-15,19-20H,4-7,10-11,16-18H2,1-3H3/t19-/m0/s1.

What are the key properties of N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide?

N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 413.56 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 7351356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).