methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate

C19H21N3O4 — CID 59298009

IUPACmethyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate
SMILESCNC(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C19H21N3O4/c1-12(13-7-5-4-6-8-13)21-17(23)14-9-15(18(24)26-3)11-16(10-14)22-19(25)20-2/h4-12H,1-3H3,(H,21,23)(H2,20,22,25)/t12-/m1/s1
InChIKeyRRMMIKYODGKQEA-GFCCVEGCSA-N
MW355.39 g/mol
LogP2.72
Rot. Bonds5

About methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate

methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate (PubChem CID 59298009) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate
PubChem CID59298009
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate
SMILESCNC(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C19H21N3O4/c1-12(13-7-5-4-6-8-13)21-17(23)14-9-15(18(24)26-3)11-16(10-14)22-19(25)20-2/h4-12H,1-3H3,(H,21,23)(H2,20,22,25)/t12-/m1/s1
InChIKeyRRMMIKYODGKQEA-GFCCVEGCSA-N
XLogP2.72
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate 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

methyl 3-methylsulfonyloxy-5-(1-phenylethylcarbamoyl)benzoate
CID 91468652
methyl 3-(2-cyanophenyl)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 59297720
methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 151768789
methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 166506945
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-3-oxo-2-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 3394738
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
methyl 3-[[5-(1-phenylethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109232851
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate (CID 59298009) is methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate is CNC(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The InChIKey is RRMMIKYODGKQEA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(13-7-5-4-6-8-13)21-17(23)14-9-15(18(24)26-3)11-16(10-14)22-19(25)20-2/h4-12H,1-3H3,(H,21,23)(H2,20,22,25)/t12-/m1/s1.
What are the key properties of methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate is sourced from PubChem (CID 59298009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).