N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide

C27H35N3O4 — CID 42777978

About N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide

N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 42777978) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
• PubChem CID: 42777978
• Molecular Formula: C27H35N3O4
• Molecular Weight: 465.59 g/mol
• Exact Mass: 465.26
• IUPAC Name: N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
• SMILES: CCC(C)N(Cc1cccn1Cc1ccccc1C)C(=O)CN(CCOC)C(=O)c1ccco1
• InChI: InChI=1S/C27H35N3O4/c1-5-22(3)30(19-24-12-8-14-28(24)18-23-11-7-6-10-21(23)2)26(31)20-29(15-17-33-4)27(32)25-13-9-16-34-25/h6-14,16,22H,5,15,17-20H2,1-4H3
• InChIKey: WREPFNRTGYUWCQ-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 67.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.59
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?

The IUPAC name of N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 42777978) is N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide.

What is the SMILES notation for N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?

The canonical SMILES for N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide is CCC(C)N(Cc1cccn1Cc1ccccc1C)C(=O)CN(CCOC)C(=O)c1ccco1.

What is the InChIKey of N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?

The InChIKey is WREPFNRTGYUWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-5-22(3)30(19-24-12-8-14-28(24)18-23-11-7-6-10-21(23)2)26(31)20-29(15-17-33-4)27(32)25-13-9-16-34-25/h6-14,16,22H,5,15,17-20H2,1-4H3.

What are the key properties of N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?

N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 4.35, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 42777978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).