3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

C15H22N2O3 — CID 107273259

IUPAC3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C15H22N2O3/c16-13-4-2-1-3-12(13)5-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-4,19H,5-11,16H2,(H,17,18)
InChIKeyZXMNXAYRIQKNFC-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.86
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (PubChem CID 107273259) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
PubChem CID107273259
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C15H22N2O3/c16-13-4-2-1-3-12(13)5-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-4,19H,5-11,16H2,(H,17,18)
InChIKeyZXMNXAYRIQKNFC-UHFFFAOYSA-N
XLogP0.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 126851273
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
3-[2-[(4-hydroxyoxan-4-yl)methylcarbamoyl]phenyl]propanoic acid
CID 146133270
3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride
CID 120613594
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
3-(2-aminophenyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 120610868

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (CID 107273259) is 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is Nc1ccccc1CCC(=O)NCC1(O)CCOCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The InChIKey is ZXMNXAYRIQKNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-13-4-2-1-3-12(13)5-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-4,19H,5-11,16H2,(H,17,18).
What are the key properties of 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide has a molecular weight of 278.35 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 3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is sourced from PubChem (CID 107273259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).