2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide

C12H18N2O3 — CID 54880153

IUPAC2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N)cc1CO
InChIInChI=1S/C12H18N2O3/c1-3-17-11-5-4-10(6-9(11)7-15)14-12(16)8(2)13/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyQINHXSQBZYHYGZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.86
Rot. Bonds5

About 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide

2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide (PubChem CID 54880153) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
PubChem CID54880153
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N)cc1CO
InChIInChI=1S/C12H18N2O3/c1-3-17-11-5-4-10(6-9(11)7-15)14-12(16)8(2)13/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyQINHXSQBZYHYGZ-UHFFFAOYSA-N
XLogP0.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
2-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 54880127
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
(2S)-2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylsulfanylbutanamide
CID 61164985
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide (CID 54880153) is 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide is CCOc1ccc(NC(=O)C(C)N)cc1CO.
What is the InChIKey of 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The InChIKey is QINHXSQBZYHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-11-5-4-10(6-9(11)7-15)14-12(16)8(2)13/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 54880153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).