2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide

C15H23NO2 — CID 56920695

IUPAC2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(C(=O)NCCCOC(C)C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)18-9-5-8-16-15(17)14-7-6-12(3)10-13(14)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyVCVSKPXLMQKWDN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds6

About 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide

2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 56920695) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID56920695
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(C(=O)NCCCOC(C)C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)18-9-5-8-16-15(17)14-7-6-12(3)10-13(14)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyVCVSKPXLMQKWDN-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
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

2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2-cyano-3-(2,4-dimethylphenyl)-3-oxo-N-(3-propan-2-yloxypropyl)propanamide
CID 87011767
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
4-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 104765563
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide (CID 56920695) is 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide is Cc1ccc(C(=O)NCCCOC(C)C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is VCVSKPXLMQKWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)18-9-5-8-16-15(17)14-7-6-12(3)10-13(14)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide?
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 249.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 56920695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).