3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride

C38H48ClN5O8 — CID 69139387

IUPAC3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1cc(CN2C(=O)N(C(CNC(CC(=O)O)c3ccc(OC)c(OC)c3)CC3CC3)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C38H47N5O8.ClH/c1-23-9-7-8-10-28(23)40-36(47)41-29-15-13-25(18-32(29)50-5)22-42-37(48)43(35(46)38(42,2)3)27(17-24-11-12-24)21-39-30(20-34(44)45)26-14-16-31(49-4)33(19-26)51-6;/h7-10,13-16,18-19,24,27,30,39H,11-12,17,20-22H2,1-6H3,(H,44,45)(H2,40,41,47);1H
InChIKeyWEYUAOXLYRJPDG-UHFFFAOYSA-N
MW738.28 g/mol
LogP6.60
Rot. Bonds16

About 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride

3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride (PubChem CID 69139387) has the molecular formula C38H48ClN5O8 and a molecular weight of 738.28 g/mol. Its IUPAC name is 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
PubChem CID69139387
Molecular FormulaC38H48ClN5O8
Molecular Weight738.28 g/mol
Exact Mass737.32
IUPAC Name3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
SMILESCOc1cc(CN2C(=O)N(C(CNC(CC(=O)O)c3ccc(OC)c(OC)c3)CC3CC3)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C38H47N5O8.ClH/c1-23-9-7-8-10-28(23)40-36(47)41-29-15-13-25(18-32(29)50-5)22-42-37(48)43(35(46)38(42,2)3)27(17-24-11-12-24)21-39-30(20-34(44)45)26-14-16-31(49-4)33(19-26)51-6;/h7-10,13-16,18-19,24,27,30,39H,11-12,17,20-22H2,1-6H3,(H,44,45)(H2,40,41,47);1H
InChIKeyWEYUAOXLYRJPDG-UHFFFAOYSA-N
XLogP6.60
TPSA158.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.28
LogP ≤ 56.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride (CID 69139387) is 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride is COc1cc(CN2C(=O)N(C(CNC(CC(=O)O)c3ccc(OC)c(OC)c3)CC3CC3)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1C.Cl.
What is the InChIKey of 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride?
The InChIKey is WEYUAOXLYRJPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N5O8.ClH/c1-23-9-7-8-10-28(23)40-36(47)41-29-15-13-25(18-32(29)50-5)22-42-37(48)43(35(46)38(42,2)3)27(17-24-11-12-24)21-39-30(20-34(44)45)26-14-16-31(49-4)33(19-26)51-6;/h7-10,13-16,18-19,24,27,30,39H,11-12,17,20-22H2,1-6H3,(H,44,45)(H2,40,41,47);1H.
What are the key properties of 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride?
3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride has a molecular weight of 738.28 g/mol, XLogP of 6.60, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 69139387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).