methyl 4-(3-phenylpropylcarbamoyl)benzoate

C18H19NO3 — CID 27646995

IUPACmethyl 4-(3-phenylpropylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-22-18(21)16-11-9-15(10-12-16)17(20)19-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,19,20)
InChIKeyWSQKHTAILVPJOU-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.84
Rot. Bonds6

About methyl 4-(3-phenylpropylcarbamoyl)benzoate

methyl 4-(3-phenylpropylcarbamoyl)benzoate (PubChem CID 27646995) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 4-(3-phenylpropylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-phenylpropylcarbamoyl)benzoate
PubChem CID27646995
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 4-(3-phenylpropylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-22-18(21)16-11-9-15(10-12-16)17(20)19-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,19,20)
InChIKeyWSQKHTAILVPJOU-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-(3-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

methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
methyl 4-[[5-(3-phenylpropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109239067
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
methyl 4-[2-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111199397
N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 91126455
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047018

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-phenylpropylcarbamoyl)benzoate?
The IUPAC name of methyl 4-(3-phenylpropylcarbamoyl)benzoate (CID 27646995) is methyl 4-(3-phenylpropylcarbamoyl)benzoate.
What is the SMILES notation for methyl 4-(3-phenylpropylcarbamoyl)benzoate?
The canonical SMILES for methyl 4-(3-phenylpropylcarbamoyl)benzoate is COC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of methyl 4-(3-phenylpropylcarbamoyl)benzoate?
The InChIKey is WSQKHTAILVPJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-18(21)16-11-9-15(10-12-16)17(20)19-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,19,20).
What are the key properties of methyl 4-(3-phenylpropylcarbamoyl)benzoate?
methyl 4-(3-phenylpropylcarbamoyl)benzoate has a molecular weight of 297.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-phenylpropylcarbamoyl)benzoate is sourced from PubChem (CID 27646995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).