N-butyl-3,5-dimethylbenzamide

C13H19NO — CID 17190927

IUPACN-butyl-3,5-dimethylbenzamide
SMILESCCCCNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO/c1-4-5-6-14-13(15)12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeySFBUGRSGACNSHS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.83
Rot. Bonds4

About N-butyl-3,5-dimethylbenzamide

N-butyl-3,5-dimethylbenzamide (PubChem CID 17190927) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-butyl-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-butyl-3,5-dimethylbenzamide
PubChem CID17190927
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-butyl-3,5-dimethylbenzamide
SMILESCCCCNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO/c1-4-5-6-14-13(15)12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeySFBUGRSGACNSHS-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-butyl-5-methylbenzamide
CID 104851755
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-(6-iodohexyl)-3,5-dimethylbenzamide
CID 107848408
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dimethylbenzamide?
The IUPAC name of N-butyl-3,5-dimethylbenzamide (CID 17190927) is N-butyl-3,5-dimethylbenzamide.
What is the SMILES notation for N-butyl-3,5-dimethylbenzamide?
The canonical SMILES for N-butyl-3,5-dimethylbenzamide is CCCCNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-butyl-3,5-dimethylbenzamide?
The InChIKey is SFBUGRSGACNSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-5-6-14-13(15)12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-butyl-3,5-dimethylbenzamide?
N-butyl-3,5-dimethylbenzamide has a molecular weight of 205.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dimethylbenzamide is sourced from PubChem (CID 17190927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).