2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

C13H20N2O3 — CID 62097345

IUPAC2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(CN)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-15-13(16)10(8-14)4-9-5-11(17-2)7-12(6-9)18-3/h5-7,10H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyONUXLZDPLQAIFY-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.57
Rot. Bonds6

About 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 62097345) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
PubChem CID62097345
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(CN)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-15-13(16)10(8-14)4-9-5-11(17-2)7-12(6-9)18-3/h5-7,10H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyONUXLZDPLQAIFY-UHFFFAOYSA-N
XLogP0.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
3-(3,5-dimethoxyphenyl)-2-sulfanylpropanoic acid
CID 60795029
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
(2S)-4-(3,5-dimethoxyphenyl)-2-(methylamino)butanoic acid
CID 172529766
2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
1,3,5-trimethoxybenzene;urea
CID 174919725
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
CID 119996429
2-[(3,5-dimethoxyphenyl)methylamino]propanamide
CID 43402365
2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 62131885

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (CID 62097345) is 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is CNC(=O)C(CN)Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is ONUXLZDPLQAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15-13(16)10(8-14)4-9-5-11(17-2)7-12(6-9)18-3/h5-7,10H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 62097345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).