3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide

C16H22N2O4 — CID 131890314

IUPAC3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O4/c1-12(19)17-9-8-16(20)18-13-4-6-14(7-5-13)22-11-15-3-2-10-21-15/h4-7,15H,2-3,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyFWBSEZSDRHJSQR-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.71
Rot. Bonds7

About 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide

3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide (PubChem CID 131890314) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
PubChem CID131890314
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O4/c1-12(19)17-9-8-16(20)18-13-4-6-14(7-5-13)22-11-15-3-2-10-21-15/h4-7,15H,2-3,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyFWBSEZSDRHJSQR-UHFFFAOYSA-N
XLogP1.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 87020615
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide (CID 131890314) is 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide is CC(=O)NCCC(=O)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The InChIKey is FWBSEZSDRHJSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(19)17-9-8-16(20)18-13-4-6-14(7-5-13)22-11-15-3-2-10-21-15/h4-7,15H,2-3,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide has a molecular weight of 306.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 131890314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).