2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide

C12H18N2O3 — CID 83541837

IUPAC2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)N)cc1OC
InChIInChI=1S/C12H18N2O3/c1-8(13)12(15)14(2)9-5-6-10(16-3)11(7-9)17-4/h5-8H,13H2,1-4H3
InChIKeyNSRYOOXDBLRRSS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.01
Rot. Bonds4

About 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide

2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 83541837) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
PubChem CID83541837
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)N)cc1OC
InChIInChI=1S/C12H18N2O3/c1-8(13)12(15)14(2)9-5-6-10(16-3)11(7-9)17-4/h5-8H,13H2,1-4H3
InChIKeyNSRYOOXDBLRRSS-UHFFFAOYSA-N
XLogP1.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115179186
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide
CID 91082620
2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide
CID 115140469
2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 110618633
2-amino-3-(3-bromo-4-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 115179199
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide (CID 83541837) is 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide is COc1ccc(N(C)C(=O)C(C)N)cc1OC.
What is the InChIKey of 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is NSRYOOXDBLRRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(13)12(15)14(2)9-5-6-10(16-3)11(7-9)17-4/h5-8H,13H2,1-4H3.
What are the key properties of 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide?
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 83541837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).