3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide

C13H20N2O3 — CID 64684929

IUPAC3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)N)cc1OC
InChIInChI=1S/C13H20N2O3/c1-13(2,14)8-12(16)15-9-5-6-10(17-3)11(7-9)18-4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyACOSVOWSXFQOEG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide

3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide (PubChem CID 64684929) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
PubChem CID64684929
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)N)cc1OC
InChIInChI=1S/C13H20N2O3/c1-13(2,14)8-12(16)15-9-5-6-10(17-3)11(7-9)18-4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyACOSVOWSXFQOEG-UHFFFAOYSA-N
XLogP1.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
(3,4-dimethoxyphenyl)urea
CID 21197430
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
CID 107790582
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7814936
N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769222
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide (CID 64684929) is 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide is COc1ccc(NC(=O)CC(C)(C)N)cc1OC.
What is the InChIKey of 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The InChIKey is ACOSVOWSXFQOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,14)8-12(16)15-9-5-6-10(17-3)11(7-9)18-4/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide?
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide has a molecular weight of 252.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 64684929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).