N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide

C16H25NO2 — CID 110769670

IUPACN-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C16H25NO2/c1-6-7-10-17(4)16(18)11-14-8-9-15(19-5)13(3)12(14)2/h8-9H,6-7,10-11H2,1-5H3
InChIKeySBAPHJSNGSMUSV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.11
Rot. Bonds6

About N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide

N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide (PubChem CID 110769670) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
PubChem CID110769670
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C16H25NO2/c1-6-7-10-17(4)16(18)11-14-8-9-15(19-5)13(3)12(14)2/h8-9H,6-7,10-11H2,1-5H3
InChIKeySBAPHJSNGSMUSV-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide
CID 110769641
2-(2,4-dimethoxy-3-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110769825
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
CID 109003052
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
N-benzyl-N-[(4-methoxy-2,3-dimethylphenyl)methyl]butan-1-amine
CID 2244814
2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
CID 121016369
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
N-butyl-3-(2-methoxyanilino)-N-methylpropanamide
CID 109032376
3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine
CID 143623051
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide (CID 110769670) is N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide is CCCCN(C)C(=O)Cc1ccc(OC)c(C)c1C.
What is the InChIKey of N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide?
The InChIKey is SBAPHJSNGSMUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-7-10-17(4)16(18)11-14-8-9-15(19-5)13(3)12(14)2/h8-9H,6-7,10-11H2,1-5H3.
What are the key properties of N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide?
N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide has a molecular weight of 263.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 110769670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).