3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline

C36H46N6O7 — CID 142168157

About 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline

3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline (PubChem CID 142168157) has the molecular formula C36H46N6O7 and a molecular weight of 674.80 g/mol. Its IUPAC name is 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline.

Molecular Properties

• Compound Name: 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline
• PubChem CID: 142168157
• Molecular Formula: C36H46N6O7
• Molecular Weight: 674.80 g/mol
• Exact Mass: 674.34
• IUPAC Name: 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline
• SMILES: C=O.CNc1ccc(CN2C(=O)N(C(CC3CC3)C(=O)NC(CC(=O)O)c3cccnc3)C(=O)C2(C)C)cc1OC.Cc1ccccc1N
• InChI: InChI=1S/C28H35N5O6.C7H9N.CH2O/c1-28(2)26(37)33(27(38)32(28)16-18-9-10-20(29-3)23(13-18)39-4)22(12-17-7-8-17)25(36)31-21(14-24(34)35)19-6-5-11-30-15-19;1-6-4-2-3-5-7(6)8;1-2/h5-6,9-11,13,15,17,21-22,29H,7-8,12,14,16H2,1-4H3,(H,31,36)(H,34,35);2-5H,8H2,1H3;1H2
• InChIKey: NEDOVOMJQPYNFB-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 184.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	674.80
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline?

The IUPAC name of 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline (CID 142168157) is 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline.

What is the SMILES notation for 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline?

The canonical SMILES for 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline is C=O.CNc1ccc(CN2C(=O)N(C(CC3CC3)C(=O)NC(CC(=O)O)c3cccnc3)C(=O)C2(C)C)cc1OC.Cc1ccccc1N.

What is the InChIKey of 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline?

The InChIKey is NEDOVOMJQPYNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O6.C7H9N.CH2O/c1-28(2)26(37)33(27(38)32(28)16-18-9-10-20(29-3)23(13-18)39-4)22(12-17-7-8-17)25(36)31-21(14-24(34)35)19-6-5-11-30-15-19;1-6-4-2-3-5-7(6)8;1-2/h5-6,9-11,13,15,17,21-22,29H,7-8,12,14,16H2,1-4H3,(H,31,36)(H,34,35);2-5H,8H2,1H3;1H2.

What are the key properties of 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline?

3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline has a molecular weight of 674.80 g/mol, XLogP of 4.57, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-(methylamino)phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;formaldehyde;2-methylaniline is sourced from PubChem (CID 142168157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).