N-(2-amino-5-methylphenyl)heptanamide

C14H22N2O — CID 114752035

IUPACN-(2-amino-5-methylphenyl)heptanamide
SMILESCCCCCCC(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C14H22N2O/c1-3-4-5-6-7-14(17)16-13-10-11(2)8-9-12(13)15/h8-10H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyVFNGJWHCRSFYDP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.49
Rot. Bonds6

About N-(2-amino-5-methylphenyl)heptanamide

N-(2-amino-5-methylphenyl)heptanamide (PubChem CID 114752035) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)heptanamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)heptanamide
PubChem CID114752035
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-amino-5-methylphenyl)heptanamide
SMILESCCCCCCC(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C14H22N2O/c1-3-4-5-6-7-14(17)16-13-10-11(2)8-9-12(13)15/h8-10H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyVFNGJWHCRSFYDP-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.49
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

N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide
CID 82750402
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]heptanamide
CID 114753360
2-amino-4-methyl-6-(octadecanoylamino)benzenesulfonic acid
CID 154102471
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
[2-(hexanoylamino)-4-methylphenyl] hexanoate
CID 175062728
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)heptanamide?
The IUPAC name of N-(2-amino-5-methylphenyl)heptanamide (CID 114752035) is N-(2-amino-5-methylphenyl)heptanamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)heptanamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)heptanamide is CCCCCCC(=O)Nc1cc(C)ccc1N.
What is the InChIKey of N-(2-amino-5-methylphenyl)heptanamide?
The InChIKey is VFNGJWHCRSFYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-5-6-7-14(17)16-13-10-11(2)8-9-12(13)15/h8-10H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-5-methylphenyl)heptanamide?
N-(2-amino-5-methylphenyl)heptanamide has a molecular weight of 234.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)heptanamide is sourced from PubChem (CID 114752035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).