3-(3,5-dimethylphenyl)-N-methoxybutanamide

C13H19NO2 — CID 144913572

IUPAC3-(3,5-dimethylphenyl)-N-methoxybutanamide
SMILESCONC(=O)CC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO2/c1-9-5-10(2)7-12(6-9)11(3)8-13(15)14-16-4/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKeyWCIPXVRPNMYNLL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds4

About 3-(3,5-dimethylphenyl)-N-methoxybutanamide

3-(3,5-dimethylphenyl)-N-methoxybutanamide (PubChem CID 144913572) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-methoxybutanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-methoxybutanamide
PubChem CID144913572
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(3,5-dimethylphenyl)-N-methoxybutanamide
SMILESCONC(=O)CC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO2/c1-9-5-10(2)7-12(6-9)11(3)8-13(15)14-16-4/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKeyWCIPXVRPNMYNLL-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3,5-dimethylphenyl)butanoate
CID 171372815
1,1'-biphenyl;N-methoxy-3-phenylbutanamide
CID 144913601
2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
methyl 4-amino-3-(3,5-dimethylphenyl)hexanoate
CID 66096673
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate
CID 78974740
N-methyl-3-(4-methylphenyl)butanamide
CID 82075625
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
CID 120562455
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate;hydrochloride
CID 171221735
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 104502828

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-methoxybutanamide?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-methoxybutanamide (CID 144913572) is 3-(3,5-dimethylphenyl)-N-methoxybutanamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-methoxybutanamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-methoxybutanamide is CONC(=O)CC(C)c1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-methoxybutanamide?
The InChIKey is WCIPXVRPNMYNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-10(2)7-12(6-9)11(3)8-13(15)14-16-4/h5-7,11H,8H2,1-4H3,(H,14,15).
What are the key properties of 3-(3,5-dimethylphenyl)-N-methoxybutanamide?
3-(3,5-dimethylphenyl)-N-methoxybutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-methoxybutanamide is sourced from PubChem (CID 144913572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).