methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

C16H23ClN2O4 — CID 3773328

IUPACmethyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCOC(=O)C(COC(C)(C)C)NC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C16H23ClN2O4/c1-10-6-7-11(17)8-12(10)18-15(21)19-13(14(20)22-5)9-23-16(2,3)4/h6-8,13H,9H2,1-5H3,(H2,18,19,21)
InChIKeyDGZZJNPGEINGOJ-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.13
Rot. Bonds5

About methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 3773328) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID3773328
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Namemethyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCOC(=O)C(COC(C)(C)C)NC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C16H23ClN2O4/c1-10-6-7-11(17)8-12(10)18-15(21)19-13(14(20)22-5)9-23-16(2,3)4/h6-8,13H,9H2,1-5H3,(H2,18,19,21)
InChIKeyDGZZJNPGEINGOJ-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]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

methyl 2-[(2,6-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3701206
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62479537
methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3745244
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084041
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61243704
tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoate
CID 4985253
2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 3810031
ethyl 2-[(5-chloro-2-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537564
methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 3773328) is methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is COC(=O)C(COC(C)(C)C)NC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is DGZZJNPGEINGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4/c1-10-6-7-11(17)8-12(10)18-15(21)19-13(14(20)22-5)9-23-16(2,3)4/h6-8,13H,9H2,1-5H3,(H2,18,19,21).
What are the key properties of methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 342.82 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 3773328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).