methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate

C13H18N2O5 — CID 5151052

IUPACmethyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H18N2O5/c1-8(12(16)20-4)14-13(17)15-9-5-10(18-2)7-11(6-9)19-3/h5-8H,1-4H3,(H2,14,15,17)
InChIKeyZLDUTCODDIGABO-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.39
Rot. Bonds5

About methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate

methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate (PubChem CID 5151052) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
PubChem CID5151052
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H18N2O5/c1-8(12(16)20-4)14-13(17)15-9-5-10(18-2)7-11(6-9)19-3/h5-8H,1-4H3,(H2,14,15,17)
InChIKeyZLDUTCODDIGABO-UHFFFAOYSA-N
XLogP1.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-bromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 82860111
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
CID 100666210
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate (CID 5151052) is methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate is COC(=O)C(C)NC(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate?
The InChIKey is ZLDUTCODDIGABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8(12(16)20-4)14-13(17)15-9-5-10(18-2)7-11(6-9)19-3/h5-8H,1-4H3,(H2,14,15,17).
What are the key properties of methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate?
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate has a molecular weight of 282.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 5151052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).