2-amino-3-(3,4,5-trimethoxyphenyl)propanamide

C12H18N2O4 — CID 116850909

IUPAC2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CC(N)C(N)=O)cc(OC)c1OC
InChIInChI=1S/C12H18N2O4/c1-16-9-5-7(4-8(13)12(14)15)6-10(17-2)11(9)18-3/h5-6,8H,4,13H2,1-3H3,(H2,14,15)
InChIKeyVEPCYVYVIKULDP-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.07
Rot. Bonds6

About 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide

2-amino-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 116850909) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID116850909
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CC(N)C(N)=O)cc(OC)c1OC
InChIInChI=1S/C12H18N2O4/c1-16-9-5-7(4-8(13)12(14)15)6-10(17-2)11(9)18-3/h5-6,8H,4,13H2,1-3H3,(H2,14,15)
InChIKeyVEPCYVYVIKULDP-UHFFFAOYSA-N
XLogP0.07
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
2-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 142078023
(2R,4S)-2-amino-4-[(3,4,5-trimethoxyphenyl)methyl]pentanedioic acid
CID 11099473
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-aminopropanoic acid
CID 170879558
2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
CID 62901223
(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272311
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
1-(3,4,5-trimethoxyphenyl)pentan-2-amine
CID 3051170
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide (CID 116850909) is 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CC(N)C(N)=O)cc(OC)c1OC.
What is the InChIKey of 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is VEPCYVYVIKULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-9-5-7(4-8(13)12(14)15)6-10(17-2)11(9)18-3/h5-6,8H,4,13H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide?
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 254.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 116850909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).