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

C22H35N3O2 — CID 7217205

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

N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 7217205) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
• PubChem CID: 7217205
• Molecular Formula: C22H35N3O2
• Molecular Weight: 373.54 g/mol
• Exact Mass: 373.27
• IUPAC Name: N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
• SMILES: CC[C@H](C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)C1CCCCC1
• InChI: InChI=1S/C22H35N3O2/c1-4-17(2)24(22(27)18-9-6-5-7-10-18)16-21(26)25(19-12-13-19)15-20-11-8-14-23(20)3/h8,11,14,17-19H,4-7,9-10,12-13,15-16H2,1-3H3/t17-/m0/s1
• InChIKey: UZGMFIJVQMOQIT-KRWDZBQOSA-N
• XLogP: 3.72
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.54
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 7217205) is N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

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

The canonical SMILES for N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide is CC[C@H](C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)C1CCCCC1.

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

The InChIKey is UZGMFIJVQMOQIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-4-17(2)24(22(27)18-9-6-5-7-10-18)16-21(26)25(19-12-13-19)15-20-11-8-14-23(20)3/h8,11,14,17-19H,4-7,9-10,12-13,15-16H2,1-3H3/t17-/m0/s1.

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

N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 373.54 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 7217205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).