3-(heptylamino)-2-methylbenzamide

C15H24N2O — CID 43694125

IUPAC3-(heptylamino)-2-methylbenzamide
SMILESCCCCCCCNc1cccc(C(N)=O)c1C
InChIInChI=1S/C15H24N2O/c1-3-4-5-6-7-11-17-14-10-8-9-13(12(14)2)15(16)18/h8-10,17H,3-7,11H2,1-2H3,(H2,16,18)
InChIKeyXSEOVXJXSRVHBF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.48
Rot. Bonds8

About 3-(heptylamino)-2-methylbenzamide

3-(heptylamino)-2-methylbenzamide (PubChem CID 43694125) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(heptylamino)-2-methylbenzamide.

Molecular Properties

Compound Name3-(heptylamino)-2-methylbenzamide
PubChem CID43694125
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(heptylamino)-2-methylbenzamide
SMILESCCCCCCCNc1cccc(C(N)=O)c1C
InChIInChI=1S/C15H24N2O/c1-3-4-5-6-7-11-17-14-10-8-9-13(12(14)2)15(16)18/h8-10,17H,3-7,11H2,1-2H3,(H2,16,18)
InChIKeyXSEOVXJXSRVHBF-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.48
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

2-methyl-3-(pentylamino)benzoic acid
CID 43737202
2-hydroxy-3-(pentylamino)benzamide
CID 67175041
3-(3,3-dimethylbutylamino)-2-methylbenzamide
CID 62952099
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925
2-(tetradecylamino)benzoic acid
CID 15090293
tert-butyl 3-(butylamino)-2-methylbenzoate
CID 151374711
3-fluoro-2-methyl-N-octylaniline
CID 55191614
3-chloro-2-methyl-N-octylaniline
CID 43129192
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
2-methyl-3-nitro-N-octylaniline
CID 43719582
4-(heptylamino)-3-methylbenzamide
CID 43706885

Frequently Asked Questions

What is the IUPAC name of 3-(heptylamino)-2-methylbenzamide?
The IUPAC name of 3-(heptylamino)-2-methylbenzamide (CID 43694125) is 3-(heptylamino)-2-methylbenzamide.
What is the SMILES notation for 3-(heptylamino)-2-methylbenzamide?
The canonical SMILES for 3-(heptylamino)-2-methylbenzamide is CCCCCCCNc1cccc(C(N)=O)c1C.
What is the InChIKey of 3-(heptylamino)-2-methylbenzamide?
The InChIKey is XSEOVXJXSRVHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-5-6-7-11-17-14-10-8-9-13(12(14)2)15(16)18/h8-10,17H,3-7,11H2,1-2H3,(H2,16,18).
What are the key properties of 3-(heptylamino)-2-methylbenzamide?
3-(heptylamino)-2-methylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptylamino)-2-methylbenzamide is sourced from PubChem (CID 43694125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).