3-[3-(butylamino)-2-methylphenyl]benzamide

C18H22N2O — CID 68753894

IUPAC3-[3-(butylamino)-2-methylphenyl]benzamide
SMILESCCCCNc1cccc(-c2cccc(C(N)=O)c2)c1C
InChIInChI=1S/C18H22N2O/c1-3-4-11-20-17-10-6-9-16(13(17)2)14-7-5-8-15(12-14)18(19)21/h5-10,12,20H,3-4,11H2,1-2H3,(H2,19,21)
InChIKeyYYBVCNYTTHROIP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.97
Rot. Bonds6

About 3-[3-(butylamino)-2-methylphenyl]benzamide

3-[3-(butylamino)-2-methylphenyl]benzamide (PubChem CID 68753894) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[3-(butylamino)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name3-[3-(butylamino)-2-methylphenyl]benzamide
PubChem CID68753894
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[3-(butylamino)-2-methylphenyl]benzamide
SMILESCCCCNc1cccc(-c2cccc(C(N)=O)c2)c1C
InChIInChI=1S/C18H22N2O/c1-3-4-11-20-17-10-6-9-16(13(17)2)14-7-5-8-15(12-14)18(19)21/h5-10,12,20H,3-4,11H2,1-2H3,(H2,19,21)
InChIKeyYYBVCNYTTHROIP-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 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 ≤ 53.97
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-[7-[3-(ethylamino)-2-methylphenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 174600872
3-(heptylamino)-2-methylbenzamide
CID 43694125
4-(heptylamino)-3-methylbenzamide
CID 43706885
2-(butylamino)-3-phenylbenzamide
CID 69189466
4-chloro-3-(pentylamino)benzamide
CID 43679378
N-butyl-3-(2,3-dihydro-1H-inden-4-yl)-2-methylaniline
CID 142524177
2-methyl-3-(pentylamino)benzoic acid
CID 43737202
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
4-chloro-3-(hexylamino)benzamide
CID 43679410
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579
2-hydroxy-3-(pentylamino)benzamide
CID 67175041
3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide
CID 68729276

Frequently Asked Questions

What is the IUPAC name of 3-[3-(butylamino)-2-methylphenyl]benzamide?
The IUPAC name of 3-[3-(butylamino)-2-methylphenyl]benzamide (CID 68753894) is 3-[3-(butylamino)-2-methylphenyl]benzamide.
What is the SMILES notation for 3-[3-(butylamino)-2-methylphenyl]benzamide?
The canonical SMILES for 3-[3-(butylamino)-2-methylphenyl]benzamide is CCCCNc1cccc(-c2cccc(C(N)=O)c2)c1C.
What is the InChIKey of 3-[3-(butylamino)-2-methylphenyl]benzamide?
The InChIKey is YYBVCNYTTHROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-4-11-20-17-10-6-9-16(13(17)2)14-7-5-8-15(12-14)18(19)21/h5-10,12,20H,3-4,11H2,1-2H3,(H2,19,21).
What are the key properties of 3-[3-(butylamino)-2-methylphenyl]benzamide?
3-[3-(butylamino)-2-methylphenyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(butylamino)-2-methylphenyl]benzamide is sourced from PubChem (CID 68753894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).