N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

C19H22N2O2 — CID 24660004

IUPACN-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-7-9-16(10-8-15)11-12-18(22)20-13-14-21-19(23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyFAPABBIAFJHIGI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.47
Rot. Bonds7

About N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (PubChem CID 24660004) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
PubChem CID24660004
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-7-9-16(10-8-15)11-12-18(22)20-13-14-21-19(23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyFAPABBIAFJHIGI-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108541864
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180
[3-[2-[3-(4-methylphenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
CID 108537502
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
CID 108574231
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 172913635
3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108542531
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (CID 24660004) is N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is Cc1ccc(CCC(=O)NCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The InChIKey is FAPABBIAFJHIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-7-9-16(10-8-15)11-12-18(22)20-13-14-21-19(23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 24660004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).