3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide

C13H20N2O2 — CID 64678245

IUPAC3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCOc1ccccc1N(C)C(=O)CC(C)(C)N
InChIInChI=1S/C13H20N2O2/c1-13(2,14)9-12(16)15(3)10-7-5-6-8-11(10)17-4/h5-8H,9,14H2,1-4H3
InChIKeyOYHAJBFJZVPJSQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds4

About 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide

3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide (PubChem CID 64678245) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
PubChem CID64678245
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCOc1ccccc1N(C)C(=O)CC(C)(C)N
InChIInChI=1S/C13H20N2O2/c1-13(2,14)9-12(16)15(3)10-7-5-6-8-11(10)17-4/h5-8H,9,14H2,1-4H3
InChIKeyOYHAJBFJZVPJSQ-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-bromo-N-(2-methoxyphenyl)-N,2-dimethyl-3-oxobutanamide
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2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide
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3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
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N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931832
3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
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(2S)-2-amino-N-(2-methoxyphenyl)-N-methyl-2-phenylacetamide
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2-(azetidin-3-yl)-N-(2-methoxyphenyl)-N-methylacetamide
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3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide (CID 64678245) is 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide is COc1ccccc1N(C)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide?
The InChIKey is OYHAJBFJZVPJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,14)9-12(16)15(3)10-7-5-6-8-11(10)17-4/h5-8H,9,14H2,1-4H3.
What are the key properties of 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide?
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 64678245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).