2-amino-3-(3,4-dimethoxyphenyl)propanamide

C11H16N2O3 — CID 14132751

IUPAC2-amino-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CC(N)C(N)=O)cc1OC
InChIInChI=1S/C11H16N2O3/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H2,13,14)
InChIKeyBHNKSDJNSKZZRR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.06
Rot. Bonds5

About 2-amino-3-(3,4-dimethoxyphenyl)propanamide

2-amino-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 14132751) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID14132751
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CC(N)C(N)=O)cc1OC
InChIInChI=1S/C11H16N2O3/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H2,13,14)
InChIKeyBHNKSDJNSKZZRR-UHFFFAOYSA-N
XLogP0.06
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
[4-[(2S)-2,3-diamino-3-oxopropyl]-2-propanoyloxyphenyl] propanoate
CID 24759853
[4-(2,3-diamino-3-oxopropyl)-2-propanoyloxyphenyl] propanoate
CID 76723253
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
(2S)-2-amino-3-(3,4-dimethoxyphenyl)propanoic acid;2-[amino(methyl)amino]propanoic acid
CID 91873500
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282
[4-(2,3-diamino-3-oxopropyl)-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate;hydrochloride
CID 173122253
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enamide
CID 125467212

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-amino-3-(3,4-dimethoxyphenyl)propanamide (CID 14132751) is 2-amino-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-amino-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CC(N)C(N)=O)cc1OC.
What is the InChIKey of 2-amino-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is BHNKSDJNSKZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-3-(3,4-dimethoxyphenyl)propanamide?
2-amino-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 14132751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).