N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide

C14H19NO3 — CID 62627215

IUPACN-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
SMILESCC(O)c1cccc(OCCC(=O)NC2CC2)c1
InChIInChI=1S/C14H19NO3/c1-10(16)11-3-2-4-13(9-11)18-8-7-14(17)15-12-5-6-12/h2-4,9-10,12,16H,5-8H2,1H3,(H,15,17)
InChIKeyKJJSQWHLMBHDAW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds6

About N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide

N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide (PubChem CID 62627215) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
PubChem CID62627215
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
SMILESCC(O)c1cccc(OCCC(=O)NC2CC2)c1
InChIInChI=1S/C14H19NO3/c1-10(16)11-3-2-4-13(9-11)18-8-7-14(17)15-12-5-6-12/h2-4,9-10,12,16H,5-8H2,1H3,(H,15,17)
InChIKeyKJJSQWHLMBHDAW-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
CID 63367378
N-cyclopropyl-3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190758
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide (CID 62627215) is N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide is CC(O)c1cccc(OCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide?
The InChIKey is KJJSQWHLMBHDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(16)11-3-2-4-13(9-11)18-8-7-14(17)15-12-5-6-12/h2-4,9-10,12,16H,5-8H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide?
N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide is sourced from PubChem (CID 62627215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).