4-(heptylamino)-3-methylbenzamide

C15H24N2O — CID 43706885

IUPAC4-(heptylamino)-3-methylbenzamide
SMILESCCCCCCCNc1ccc(C(N)=O)cc1C
InChIInChI=1S/C15H24N2O/c1-3-4-5-6-7-10-17-14-9-8-13(15(16)18)11-12(14)2/h8-9,11,17H,3-7,10H2,1-2H3,(H2,16,18)
InChIKeyLMDAORPEZMRFTF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.48
Rot. Bonds8

About 4-(heptylamino)-3-methylbenzamide

4-(heptylamino)-3-methylbenzamide (PubChem CID 43706885) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(heptylamino)-3-methylbenzamide.

Molecular Properties

Compound Name4-(heptylamino)-3-methylbenzamide
PubChem CID43706885
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(heptylamino)-3-methylbenzamide
SMILESCCCCCCCNc1ccc(C(N)=O)cc1C
InChIInChI=1S/C15H24N2O/c1-3-4-5-6-7-10-17-14-9-8-13(15(16)18)11-12(14)2/h8-9,11,17H,3-7,10H2,1-2H3,(H2,16,18)
InChIKeyLMDAORPEZMRFTF-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

4-chloro-3-(hexylamino)benzamide
CID 43679410
4-chloro-3-(pentylamino)benzamide
CID 43679378
4-(hexadec-4-enylamino)-3-methylbenzoic acid
CID 54038503
4-[[(E)-hexadec-4-enyl]amino]-3-methylbenzoic acid
CID 20536479
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
4-(6-hydroxyhexylamino)-3-methylbenzoic acid
CID 114009295
methyl 3-(hexylamino)-4-methylbenzoate
CID 43228580
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
4-bromo-N-heptyl-2-methylaniline
CID 43129195
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-methoxy-2-methyl-N-nonylaniline
CID 63492120

Frequently Asked Questions

What is the IUPAC name of 4-(heptylamino)-3-methylbenzamide?
The IUPAC name of 4-(heptylamino)-3-methylbenzamide (CID 43706885) is 4-(heptylamino)-3-methylbenzamide.
What is the SMILES notation for 4-(heptylamino)-3-methylbenzamide?
The canonical SMILES for 4-(heptylamino)-3-methylbenzamide is CCCCCCCNc1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-(heptylamino)-3-methylbenzamide?
The InChIKey is LMDAORPEZMRFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-5-6-7-10-17-14-9-8-13(15(16)18)11-12(14)2/h8-9,11,17H,3-7,10H2,1-2H3,(H2,16,18).
What are the key properties of 4-(heptylamino)-3-methylbenzamide?
4-(heptylamino)-3-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 4-(heptylamino)-3-methylbenzamide is sourced from PubChem (CID 43706885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).