3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide

C11H16N2O3 — CID 106111620

IUPAC3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C11H16N2O3/c1-16-10(6-12)11(15)13-9-4-2-3-8(5-9)7-14/h2-5,10,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyCFVZOILUSHRSNR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.09
Rot. Bonds5

About 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide

3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide (PubChem CID 106111620) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
PubChem CID106111620
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C11H16N2O3/c1-16-10(6-12)11(15)13-9-4-2-3-8(5-9)7-14/h2-5,10,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyCFVZOILUSHRSNR-UHFFFAOYSA-N
XLogP0.09
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide 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

3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
CID 114145186
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
4-[(3-amino-2-methoxypropanoyl)amino]benzamide
CID 106111050
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
CID 113375207
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
4-[(3-amino-2-methoxypropanoyl)amino]-2-methylbenzoic acid
CID 114145069
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide (CID 106111620) is 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide is COC(CN)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide?
The InChIKey is CFVZOILUSHRSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-10(6-12)11(15)13-9-4-2-3-8(5-9)7-14/h2-5,10,14H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide?
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide has a molecular weight of 224.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide is sourced from PubChem (CID 106111620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).