N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide

C13H19NO3 — CID 81042132

IUPACN-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
SMILESCC(CCO)NC(=O)CCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-11(7-9-15)14-13(16)8-10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16)
InChIKeySKBXVULOPFCTHE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds7

About N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide

N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide (PubChem CID 81042132) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
PubChem CID81042132
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
SMILESCC(CCO)NC(=O)CCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-11(7-9-15)14-13(16)8-10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16)
InChIKeySKBXVULOPFCTHE-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
N-(1-cyanopropyl)-3-phenoxypropanamide
CID 61119277
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide (CID 81042132) is N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide is CC(CCO)NC(=O)CCOc1ccccc1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide?
The InChIKey is SKBXVULOPFCTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11(7-9-15)14-13(16)8-10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16).
What are the key properties of N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide?
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 81042132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).