4-(dimethylamino)-N-pentylbenzamide

C14H22N2O — CID 21064504

IUPAC4-(dimethylamino)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-6-11-15-14(17)12-7-9-13(10-8-12)16(2)3/h7-10H,4-6,11H2,1-3H3,(H,15,17)
InChIKeyQDYWZBDVTBLENB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.67
Rot. Bonds6

About 4-(dimethylamino)-N-pentylbenzamide

4-(dimethylamino)-N-pentylbenzamide (PubChem CID 21064504) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(dimethylamino)-N-pentylbenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-pentylbenzamide
PubChem CID21064504
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(dimethylamino)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-6-11-15-14(17)12-7-9-13(10-8-12)16(2)3/h7-10H,4-6,11H2,1-3H3,(H,15,17)
InChIKeyQDYWZBDVTBLENB-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.67
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-heptylbenzamide
CID 86046283
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)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
[[4-(dimethylamino)phenyl]methyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino] acetate
CID 90774711
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
4-bromo-N-pentylbenzamide
CID 4167913
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-pentylbenzamide?
The IUPAC name of 4-(dimethylamino)-N-pentylbenzamide (CID 21064504) is 4-(dimethylamino)-N-pentylbenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-pentylbenzamide?
The canonical SMILES for 4-(dimethylamino)-N-pentylbenzamide is CCCCCNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-pentylbenzamide?
The InChIKey is QDYWZBDVTBLENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-6-11-15-14(17)12-7-9-13(10-8-12)16(2)3/h7-10H,4-6,11H2,1-3H3,(H,15,17).
What are the key properties of 4-(dimethylamino)-N-pentylbenzamide?
4-(dimethylamino)-N-pentylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-pentylbenzamide is sourced from PubChem (CID 21064504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).