methyl 3-(1-phenylpropylcarbamoyl)benzoate

C18H19NO3 — CID 43911594

IUPACmethyl 3-(1-phenylpropylcarbamoyl)benzoate
SMILESCCC(NC(=O)c1cccc(C(=O)OC)c1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-3-16(13-8-5-4-6-9-13)19-17(20)14-10-7-11-15(12-14)18(21)22-2/h4-12,16H,3H2,1-2H3,(H,19,20)
InChIKeyJETZHUFXXNRTPL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.35
Rot. Bonds5

About methyl 3-(1-phenylpropylcarbamoyl)benzoate

methyl 3-(1-phenylpropylcarbamoyl)benzoate (PubChem CID 43911594) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 3-(1-phenylpropylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(1-phenylpropylcarbamoyl)benzoate
PubChem CID43911594
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 3-(1-phenylpropylcarbamoyl)benzoate
SMILESCCC(NC(=O)c1cccc(C(=O)OC)c1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-3-16(13-8-5-4-6-9-13)19-17(20)14-10-7-11-15(12-14)18(21)22-2/h4-12,16H,3H2,1-2H3,(H,19,20)
InChIKeyJETZHUFXXNRTPL-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(1-phenylpropylcarbamoyl)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

3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
methyl 3-(benzamidocarbamoyl)benzoate
CID 17175438
methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-phenylpropylcarbamoyl)benzoate?
The IUPAC name of methyl 3-(1-phenylpropylcarbamoyl)benzoate (CID 43911594) is methyl 3-(1-phenylpropylcarbamoyl)benzoate.
What is the SMILES notation for methyl 3-(1-phenylpropylcarbamoyl)benzoate?
The canonical SMILES for methyl 3-(1-phenylpropylcarbamoyl)benzoate is CCC(NC(=O)c1cccc(C(=O)OC)c1)c1ccccc1.
What is the InChIKey of methyl 3-(1-phenylpropylcarbamoyl)benzoate?
The InChIKey is JETZHUFXXNRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-16(13-8-5-4-6-9-13)19-17(20)14-10-7-11-15(12-14)18(21)22-2/h4-12,16H,3H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-(1-phenylpropylcarbamoyl)benzoate?
methyl 3-(1-phenylpropylcarbamoyl)benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-phenylpropylcarbamoyl)benzoate is sourced from PubChem (CID 43911594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).