N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide

C32H33N5O2 — CID 67571562

About N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 67571562) has the molecular formula C32H33N5O2 and a molecular weight of 519.65 g/mol. Its IUPAC name is N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide
• PubChem CID: 67571562
• Molecular Formula: C32H33N5O2
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.26
• IUPAC Name: N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide
• SMILES: [H]/N=C(\N)N(C)c1cccc([C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N(C)Cc2ccccc2)c1
• InChI: InChI=1S/C32H33N5O2/c1-36(22-23-13-6-3-7-14-23)31(39)29(26-19-12-20-27(21-26)37(2)32(33)34)35-30(38)28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-21,28-29H,22H2,1-2H3,(H3,33,34)(H,35,38)/t29-/m1/s1
• InChIKey: DIPXCMQNXLBOAV-GDLZYMKVSA-N
• XLogP: 4.66
• TPSA: 102.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide?

The IUPAC name of N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 67571562) is N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide.

What is the SMILES notation for N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide?

The canonical SMILES for N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide is [H]/N=C(\N)N(C)c1cccc([C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N(C)Cc2ccccc2)c1.

What is the InChIKey of N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide?

The InChIKey is DIPXCMQNXLBOAV-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H33N5O2/c1-36(22-23-13-6-3-7-14-23)31(39)29(26-19-12-20-27(21-26)37(2)32(33)34)35-30(38)28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-21,28-29H,22H2,1-2H3,(H3,33,34)(H,35,38)/t29-/m1/s1.

What are the key properties of N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide?

N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 519.65 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 67571562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).