N-(2,6-dimethylphenyl)-4-(propylamino)benzamide

C18H22N2O — CID 62166423

IUPACN-(2,6-dimethylphenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H22N2O/c1-4-12-19-16-10-8-15(9-11-16)18(21)20-17-13(2)6-5-7-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyCDHXPZQRQIALAF-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.38
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-(propylamino)benzamide

N-(2,6-dimethylphenyl)-4-(propylamino)benzamide (PubChem CID 62166423) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(propylamino)benzamide
PubChem CID62166423
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2,6-dimethylphenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H22N2O/c1-4-12-19-16-10-8-15(9-11-16)18(21)20-17-13(2)6-5-7-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyCDHXPZQRQIALAF-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide
CID 107603351
4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
CID 3669912
N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
CID 107630943
N-(2,6-dimethylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62165900
4-(ethylamino)-N-(2,4,6-trimethylphenyl)benzamide
CID 62186255
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63210459
1-[4-(propylamino)phenyl]ethanone
CID 7304598
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(propylamino)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(propylamino)benzamide (CID 62166423) is N-(2,6-dimethylphenyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(propylamino)benzamide?
The InChIKey is CDHXPZQRQIALAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-12-19-16-10-8-15(9-11-16)18(21)20-17-13(2)6-5-7-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-(2,6-dimethylphenyl)-4-(propylamino)benzamide?
N-(2,6-dimethylphenyl)-4-(propylamino)benzamide has a molecular weight of 282.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(propylamino)benzamide is sourced from PubChem (CID 62166423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).