3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide

C15H23NO2 — CID 54385024

IUPAC3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCCOC(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)18-7-5-6-16-15(17)14-9-12(3)8-13(4)10-14/h8-11H,5-7H2,1-4H3,(H,16,17)
InChIKeyVCPMYBQNHURNDR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds6

About 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide

3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 54385024) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID54385024
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCCOC(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)18-7-5-6-16-15(17)14-9-12(3)8-13(4)10-14/h8-11H,5-7H2,1-4H3,(H,16,17)
InChIKeyVCPMYBQNHURNDR-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

3-amino-5-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006167
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide (CID 54385024) is 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide is Cc1cc(C)cc(C(=O)NCCCOC(C)C)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is VCPMYBQNHURNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)18-7-5-6-16-15(17)14-9-12(3)8-13(4)10-14/h8-11H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide?
3,5-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 3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 54385024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).