methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate

C14H18ClN3O4 — CID 144757355

IUPACmethyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate
SMILESCNC(=O)N(CCC(=O)OC)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O4/c1-16-13(20)18(8-7-12(19)22-2)14(21)17-9-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyPADAMHIBMYCNHD-UHFFFAOYSA-N
MW327.77 g/mol
LogP1.75
Rot. Bonds5

About methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate

methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate (PubChem CID 144757355) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate
PubChem CID144757355
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC Namemethyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate
SMILESCNC(=O)N(CCC(=O)OC)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O4/c1-16-13(20)18(8-7-12(19)22-2)14(21)17-9-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyPADAMHIBMYCNHD-UHFFFAOYSA-N
XLogP1.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate 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 methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate (CID 144757355) is methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate is CNC(=O)N(CCC(=O)OC)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate?
The InChIKey is PADAMHIBMYCNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-16-13(20)18(8-7-12(19)22-2)14(21)17-9-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate?
methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate has a molecular weight of 327.77 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chlorophenyl)methylcarbamoyl-(methylcarbamoyl)amino]propanoate is sourced from PubChem (CID 144757355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).