N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide

C21H35N3O2 — CID 7493604

About N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide

N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 7493604) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
• PubChem CID: 7493604
• Molecular Formula: C21H35N3O2
• Molecular Weight: 361.53 g/mol
• Exact Mass: 361.27
• IUPAC Name: N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
• SMILES: CC[C@@H](C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)CC(C)(C)C
• InChI: InChI=1S/C21H35N3O2/c1-7-16(2)23(19(25)13-21(3,4)5)15-20(26)24(17-10-11-17)14-18-9-8-12-22(18)6/h8-9,12,16-17H,7,10-11,13-15H2,1-6H3/t16-/m1/s1
• InChIKey: OOIIGFLLUGOEAQ-MRXNPFEDSA-N
• XLogP: 3.58
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.53
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?

The IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 7493604) is N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide is CC[C@@H](C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)CC(C)(C)C.

What is the InChIKey of N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?

The InChIKey is OOIIGFLLUGOEAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-7-16(2)23(19(25)13-21(3,4)5)15-20(26)24(17-10-11-17)14-18-9-8-12-22(18)6/h8-9,12,16-17H,7,10-11,13-15H2,1-6H3/t16-/m1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?

N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 361.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 7493604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).