N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide

C28H33N3O5 — CID 118699296

About N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide

N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide (PubChem CID 118699296) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide
• PubChem CID: 118699296
• Molecular Formula: C28H33N3O5
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.24
• IUPAC Name: N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide
• SMILES: COc1ccc(CC(NC(=O)C2(C)CC(=O)N2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CC2)cc1
• InChI: InChI=1S/C28H33N3O5/c1-27(13-14-27)24(33)21(15-18-7-5-4-6-8-18)29-25(34)22(16-19-9-11-20(36-3)12-10-19)30-26(35)28(2)17-23(32)31-28/h4-12,21-22H,13-17H2,1-3H3,(H,29,34)(H,30,35)(H,31,32)
• InChIKey: IIQSODGTJGYFFI-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 113.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide?

The IUPAC name of N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide (CID 118699296) is N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide.

What is the SMILES notation for N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide?

The canonical SMILES for N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide is COc1ccc(CC(NC(=O)C2(C)CC(=O)N2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CC2)cc1.

What is the InChIKey of N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide?

The InChIKey is IIQSODGTJGYFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-27(13-14-27)24(33)21(15-18-7-5-4-6-8-18)29-25(34)22(16-19-9-11-20(36-3)12-10-19)30-26(35)28(2)17-23(32)31-28/h4-12,21-22H,13-17H2,1-3H3,(H,29,34)(H,30,35)(H,31,32).

What are the key properties of N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide?

N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 2.10, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-methoxyphenyl)-1-[[1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 118699296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).