ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate

C37H44N6O7 — CID 20612535

About ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate

ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate (PubChem CID 20612535) has the molecular formula C37H44N6O7 and a molecular weight of 684.79 g/mol. Its IUPAC name is ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate.

Molecular Properties

• Compound Name: ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate
• PubChem CID: 20612535
• Molecular Formula: C37H44N6O7
• Molecular Weight: 684.79 g/mol
• Exact Mass: 684.33
• IUPAC Name: ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate
• SMILES: CCOC(=O)CC(NC(=O)C(CC1CC1)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)C(C)(C)C1=O)c1ccncc1
• InChI: InChI=1S/C37H44N6O7/c1-6-50-32(44)21-29(26-15-17-38-18-16-26)39-33(45)30(19-24-11-12-24)43-34(46)37(3,4)42(36(43)48)22-25-13-14-28(31(20-25)49-5)41-35(47)40-27-10-8-7-9-23(27)2/h7-10,13-18,20,24,29-30H,6,11-12,19,21-22H2,1-5H3,(H,39,45)(H2,40,41,47)
• InChIKey: UPZMKPMQHJPMSB-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 159.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.79
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate?

The IUPAC name of ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate (CID 20612535) is ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate.

What is the SMILES notation for ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate?

The canonical SMILES for ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate is CCOC(=O)CC(NC(=O)C(CC1CC1)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)C(C)(C)C1=O)c1ccncc1.

What is the InChIKey of ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate?

The InChIKey is UPZMKPMQHJPMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N6O7/c1-6-50-32(44)21-29(26-15-17-38-18-16-26)39-33(45)30(19-24-11-12-24)43-34(46)37(3,4)42(36(43)48)22-25-13-14-28(31(20-25)49-5)41-35(47)40-27-10-8-7-9-23(27)2/h7-10,13-18,20,24,29-30H,6,11-12,19,21-22H2,1-5H3,(H,39,45)(H2,40,41,47).

What are the key properties of ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate?

ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate has a molecular weight of 684.79 g/mol, XLogP of 5.56, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 20612535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).