N-(1-hydroxy-4-phenoxybutan-2-yl)formamide

C11H15NO3 — CID 22755020

IUPACN-(1-hydroxy-4-phenoxybutan-2-yl)formamide
SMILESO=CNC(CO)CCOc1ccccc1
InChIInChI=1S/C11H15NO3/c13-8-10(12-9-14)6-7-15-11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2,(H,12,14)
InChIKeyUPYFNUDOMVEAFJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.56
Rot. Bonds7

About N-(1-hydroxy-4-phenoxybutan-2-yl)formamide

N-(1-hydroxy-4-phenoxybutan-2-yl)formamide (PubChem CID 22755020) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1-hydroxy-4-phenoxybutan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-phenoxybutan-2-yl)formamide
PubChem CID22755020
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-(1-hydroxy-4-phenoxybutan-2-yl)formamide
SMILESO=CNC(CO)CCOc1ccccc1
InChIInChI=1S/C11H15NO3/c13-8-10(12-9-14)6-7-15-11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2,(H,12,14)
InChIKeyUPYFNUDOMVEAFJ-UHFFFAOYSA-N
XLogP0.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-formamido-4-phenoxybutyl) formate
CID 54572717
formic acid;2-phenoxyethanol
CID 71438669
1,5-diphenoxypentan-3-ol
CID 5314309
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
1-(1-hydroxybutan-2-yl)-3-(2-phenoxyethyl)urea
CID 75816995
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
2-(cyclopropylamino)-3-phenoxypropan-1-ol
CID 64804143
N-methyl-5-methylidene-1-phenoxyheptan-3-amine
CID 66046491
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-phenoxybutan-2-yl)formamide?
The IUPAC name of N-(1-hydroxy-4-phenoxybutan-2-yl)formamide (CID 22755020) is N-(1-hydroxy-4-phenoxybutan-2-yl)formamide.
What is the SMILES notation for N-(1-hydroxy-4-phenoxybutan-2-yl)formamide?
The canonical SMILES for N-(1-hydroxy-4-phenoxybutan-2-yl)formamide is O=CNC(CO)CCOc1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-phenoxybutan-2-yl)formamide?
The InChIKey is UPYFNUDOMVEAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-8-10(12-9-14)6-7-15-11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2,(H,12,14).
What are the key properties of N-(1-hydroxy-4-phenoxybutan-2-yl)formamide?
N-(1-hydroxy-4-phenoxybutan-2-yl)formamide has a molecular weight of 209.25 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-phenoxybutan-2-yl)formamide is sourced from PubChem (CID 22755020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).