2-amino-6-methyl-N-(4-methylpentyl)benzamide

C14H22N2O — CID 61125190

IUPAC2-amino-6-methyl-N-(4-methylpentyl)benzamide
SMILESCc1cccc(N)c1C(=O)NCCCC(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)6-5-9-16-14(17)13-11(3)7-4-8-12(13)15/h4,7-8,10H,5-6,9,15H2,1-3H3,(H,16,17)
InChIKeyGSRSEFHFDBONCM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-6-methyl-N-(4-methylpentyl)benzamide

2-amino-6-methyl-N-(4-methylpentyl)benzamide (PubChem CID 61125190) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(4-methylpentyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(4-methylpentyl)benzamide
PubChem CID61125190
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-6-methyl-N-(4-methylpentyl)benzamide
SMILESCc1cccc(N)c1C(=O)NCCCC(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)6-5-9-16-14(17)13-11(3)7-4-8-12(13)15/h4,7-8,10H,5-6,9,15H2,1-3H3,(H,16,17)
InChIKeyGSRSEFHFDBONCM-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
N-(4-aminopentyl)-2,6-dimethylbenzamide
CID 106122701
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
4-methylpentyl 2-amino-6-methylbenzoate
CID 63446716
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
CID 61102735
2-amino-N-(2-ethylhexyl)-6-methylbenzamide
CID 107819599
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(4-methylpentyl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(4-methylpentyl)benzamide (CID 61125190) is 2-amino-6-methyl-N-(4-methylpentyl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(4-methylpentyl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(4-methylpentyl)benzamide is Cc1cccc(N)c1C(=O)NCCCC(C)C.
What is the InChIKey of 2-amino-6-methyl-N-(4-methylpentyl)benzamide?
The InChIKey is GSRSEFHFDBONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)6-5-9-16-14(17)13-11(3)7-4-8-12(13)15/h4,7-8,10H,5-6,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-6-methyl-N-(4-methylpentyl)benzamide?
2-amino-6-methyl-N-(4-methylpentyl)benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(4-methylpentyl)benzamide is sourced from PubChem (CID 61125190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).