4-(dimethylamino)-N-heptylbenzamide

C16H26N2O — CID 86046283

IUPAC4-(dimethylamino)-N-heptylbenzamide
SMILESCCCCCCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-6-7-8-13-17-16(19)14-9-11-15(12-10-14)18(2)3/h9-12H,4-8,13H2,1-3H3,(H,17,19)
InChIKeyYGLUSXYSZCAFOJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.45
Rot. Bonds8

About 4-(dimethylamino)-N-heptylbenzamide

4-(dimethylamino)-N-heptylbenzamide (PubChem CID 86046283) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-heptylbenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-heptylbenzamide
PubChem CID86046283
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(dimethylamino)-N-heptylbenzamide
SMILESCCCCCCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-6-7-8-13-17-16(19)14-9-11-15(12-10-14)18(2)3/h9-12H,4-8,13H2,1-3H3,(H,17,19)
InChIKeyYGLUSXYSZCAFOJ-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
2-[[4-(dimethylamino)phenyl]methyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxoacetic acid
CID 11318426
[[4-(dimethylamino)phenyl]methyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino] acetate
CID 90774711
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-heptylbenzamide?
The IUPAC name of 4-(dimethylamino)-N-heptylbenzamide (CID 86046283) is 4-(dimethylamino)-N-heptylbenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-heptylbenzamide?
The canonical SMILES for 4-(dimethylamino)-N-heptylbenzamide is CCCCCCCNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-heptylbenzamide?
The InChIKey is YGLUSXYSZCAFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-6-7-8-13-17-16(19)14-9-11-15(12-10-14)18(2)3/h9-12H,4-8,13H2,1-3H3,(H,17,19).
What are the key properties of 4-(dimethylamino)-N-heptylbenzamide?
4-(dimethylamino)-N-heptylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-heptylbenzamide is sourced from PubChem (CID 86046283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).