methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate

C15H20N2O4 — CID 8733711

IUPACmethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H20N2O4/c1-4-9-16-13(18)10(2)17-14(19)11-5-7-12(8-6-11)15(20)21-3/h5-8,10H,4,9H2,1-3H3,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeyJGLHHUYXTUBAMB-SNVBAGLBSA-N
MW292.34 g/mol
LogP1.12
Rot. Bonds6

About methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate

methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate (PubChem CID 8733711) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
PubChem CID8733711
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H20N2O4/c1-4-9-16-13(18)10(2)17-14(19)11-5-7-12(8-6-11)15(20)21-3/h5-8,10H,4,9H2,1-3H3,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeyJGLHHUYXTUBAMB-SNVBAGLBSA-N
XLogP1.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]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 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate
CID 46449947
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9227810
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655429
4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
CID 122157402
4-bromo-3,5-dimethoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 17412288
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892113
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892114
methyl 4-(propylcarbamothioylcarbamoyl)benzoate
CID 17178546
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate (CID 8733711) is methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate is CCCNC(=O)[C@@H](C)NC(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate?
The InChIKey is JGLHHUYXTUBAMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-9-16-13(18)10(2)17-14(19)11-5-7-12(8-6-11)15(20)21-3/h5-8,10H,4,9H2,1-3H3,(H,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate?
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate has a molecular weight of 292.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate is sourced from PubChem (CID 8733711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).