4-amino-N-(6-methylheptyl)benzamide

C15H24N2O — CID 22753103

IUPAC4-amino-N-(6-methylheptyl)benzamide
SMILESCC(C)CCCCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)6-4-3-5-11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKeyAWHNIDBIRVSSNE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.21
Rot. Bonds7

About 4-amino-N-(6-methylheptyl)benzamide

4-amino-N-(6-methylheptyl)benzamide (PubChem CID 22753103) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-(6-methylheptyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(6-methylheptyl)benzamide
PubChem CID22753103
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N-(6-methylheptyl)benzamide
SMILESCC(C)CCCCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)6-4-3-5-11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKeyAWHNIDBIRVSSNE-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.21
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

3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
(2S)-2-amino-6-[(4-aminobenzoyl)amino]hexanoic acid
CID 70353770
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)
CID 171640058
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
3-amino-5-iodo-N-(5-methylhexyl)benzamide
CID 112750898
4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide
CID 20976511
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
CID 139715444
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methylheptyl)benzamide?
The IUPAC name of 4-amino-N-(6-methylheptyl)benzamide (CID 22753103) is 4-amino-N-(6-methylheptyl)benzamide.
What is the SMILES notation for 4-amino-N-(6-methylheptyl)benzamide?
The canonical SMILES for 4-amino-N-(6-methylheptyl)benzamide is CC(C)CCCCCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(6-methylheptyl)benzamide?
The InChIKey is AWHNIDBIRVSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)6-4-3-5-11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(6-methylheptyl)benzamide?
4-amino-N-(6-methylheptyl)benzamide has a molecular weight of 248.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-methylheptyl)benzamide is sourced from PubChem (CID 22753103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).