2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide

C18H22N2O — CID 112979742

IUPAC2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
SMILESCCCNc1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-3-11-19-16-7-9-17(10-8-16)20-18(21)13-15-6-4-5-14(2)12-15/h4-10,12,19H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyBDFBAVDMECHAPR-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.00
Rot. Bonds6

About 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide

2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide (PubChem CID 112979742) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
PubChem CID112979742
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
SMILESCCCNc1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-3-11-19-16-7-9-17(10-8-16)20-18(21)13-15-6-4-5-14(2)12-15/h4-10,12,19H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyBDFBAVDMECHAPR-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112985121
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-2-(3-methylphenyl)acetamide
CID 112983600
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112980257
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112980500
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062320

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide (CID 112979742) is 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide is CCCNc1ccc(NC(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide?
The InChIKey is BDFBAVDMECHAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-11-19-16-7-9-17(10-8-16)20-18(21)13-15-6-4-5-14(2)12-15/h4-10,12,19H,3,11,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide?
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide is sourced from PubChem (CID 112979742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).