3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide

C19H23NO3 — CID 125144272

IUPAC3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc2ccccc2c1O)NC[C@@H]1CCCOC1
InChIInChI=1S/C19H23NO3/c21-18(20-12-14-4-3-11-23-13-14)10-9-16-8-7-15-5-1-2-6-17(15)19(16)22/h1-2,5-8,14,22H,3-4,9-13H2,(H,20,21)/t14-/m0/s1
InChIKeyPDJPMTWMZDAAOX-AWEZNQCLSA-N
MW313.40 g/mol
LogP3.02
Rot. Bonds5

About 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide

3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide (PubChem CID 125144272) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide
PubChem CID125144272
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc2ccccc2c1O)NC[C@@H]1CCCOC1
InChIInChI=1S/C19H23NO3/c21-18(20-12-14-4-3-11-23-13-14)10-9-16-8-7-15-5-1-2-6-17(15)19(16)22/h1-2,5-8,14,22H,3-4,9-13H2,(H,20,21)/t14-/m0/s1
InChIKeyPDJPMTWMZDAAOX-AWEZNQCLSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-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

2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94632802
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 94171701
methyl 4-[2-(oxan-3-ylmethylamino)-2-oxoethyl]benzoate
CID 122151417
methyl 4-[2-[[(3R)-oxan-3-yl]methylamino]-2-oxoethyl]benzoate
CID 125144263
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787
2-(cyclohexylmethyl)naphthalen-1-ol
CID 15617835
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
CID 61019472

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide?
The IUPAC name of 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide (CID 125144272) is 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide?
The canonical SMILES for 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide is O=C(CCc1ccc2ccccc2c1O)NC[C@@H]1CCCOC1.
What is the InChIKey of 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide?
The InChIKey is PDJPMTWMZDAAOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO3/c21-18(20-12-14-4-3-11-23-13-14)10-9-16-8-7-15-5-1-2-6-17(15)19(16)22/h1-2,5-8,14,22H,3-4,9-13H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide?
3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide is sourced from PubChem (CID 125144272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).