3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C14H20N2O3 — CID 106101366

IUPAC3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C14H20N2O3/c15-12-4-2-1-3-11(12)5-6-13(17)16-9-14(18)7-8-19-10-14/h1-4,18H,5-10,15H2,(H,16,17)
InChIKeySQXZSYWAXWKGKV-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.47
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 106101366) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID106101366
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C14H20N2O3/c15-12-4-2-1-3-11(12)5-6-13(17)16-9-14(18)7-8-19-10-14/h1-4,18H,5-10,15H2,(H,16,17)
InChIKeySQXZSYWAXWKGKV-UHFFFAOYSA-N
XLogP0.47
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]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

3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 126851273
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride
CID 120613594
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 71909802
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide
CID 106102823
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849539
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 106101366) is 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is Nc1ccccc1CCC(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is SQXZSYWAXWKGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-4-2-1-3-11(12)5-6-13(17)16-9-14(18)7-8-19-10-14/h1-4,18H,5-10,15H2,(H,16,17).
What are the key properties of 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 264.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 106101366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).