2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide

C18H22N2O — CID 62314821

IUPAC2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide
SMILESCc1cccc(CCNC(C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14-7-6-8-16(13-14)11-12-19-15(2)18(21)20-17-9-4-3-5-10-17/h3-10,13,15,19H,11-12H2,1-2H3,(H,20,21)
InChIKeyLHHFNJATOXCRMO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds6

About 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide

2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide (PubChem CID 62314821) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide
PubChem CID62314821
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide
SMILESCc1cccc(CCNC(C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14-7-6-8-16(13-14)11-12-19-15(2)18(21)20-17-9-4-3-5-10-17/h3-10,13,15,19H,11-12H2,1-2H3,(H,20,21)
InChIKeyLHHFNJATOXCRMO-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62312844
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
(2R)-N-(4-acetylphenyl)-2-(2-phenylethylamino)propanamide
CID 2437197
N-(ethylcarbamoyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62315197
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide?
The IUPAC name of 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide (CID 62314821) is 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide is Cc1cccc(CCNC(C)C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide?
The InChIKey is LHHFNJATOXCRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-7-6-8-16(13-14)11-12-19-15(2)18(21)20-17-9-4-3-5-10-17/h3-10,13,15,19H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide?
2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide is sourced from PubChem (CID 62314821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).