N-(4-oxobutyl)formamide;2-phenylethanol

C13H19NO3 — CID 175298453

IUPACN-(4-oxobutyl)formamide;2-phenylethanol
SMILESO=CCCCNC=O.OCCc1ccccc1
InChIInChI=1S/C8H10O.C5H9NO2/c9-7-6-8-4-2-1-3-5-8;7-4-2-1-3-6-5-8/h1-5,9H,6-7H2;4-5H,1-3H2,(H,6,8)
InChIKeyAEMDWWKDXDVCOR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.93
Rot. Bonds7

About N-(4-oxobutyl)formamide;2-phenylethanol

N-(4-oxobutyl)formamide;2-phenylethanol (PubChem CID 175298453) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-oxobutyl)formamide;2-phenylethanol.

Molecular Properties

Compound NameN-(4-oxobutyl)formamide;2-phenylethanol
PubChem CID175298453
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(4-oxobutyl)formamide;2-phenylethanol
SMILESO=CCCCNC=O.OCCc1ccccc1
InChIInChI=1S/C8H10O.C5H9NO2/c9-7-6-8-4-2-1-3-5-8;7-4-2-1-3-6-5-8/h1-5,9H,6-7H2;4-5H,1-3H2,(H,6,8)
InChIKeyAEMDWWKDXDVCOR-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-phenylhexyl)formamide
CID 25180077
methane;N-(2-phenylethyl)formamide
CID 143644399
methane;4-phenylbutanal;4-phenylbutan-1-ol
CID 159284311
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
formaldehyde;2-phenylethanol
CID 143785167
ethanamine;N-(2-phenylethyl)formamide;propane
CID 143077311
2-phenylethanol;sulfamic acid
CID 67854690
2-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
2-(3-phenylpropylamino)ethanol
CID 19012091
ethane;methanamine;11-phenylundecanal
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N-(9-phenylnon-2-enyl)formamide
CID 123527841

Frequently Asked Questions

What is the IUPAC name of N-(4-oxobutyl)formamide;2-phenylethanol?
The IUPAC name of N-(4-oxobutyl)formamide;2-phenylethanol (CID 175298453) is N-(4-oxobutyl)formamide;2-phenylethanol.
What is the SMILES notation for N-(4-oxobutyl)formamide;2-phenylethanol?
The canonical SMILES for N-(4-oxobutyl)formamide;2-phenylethanol is O=CCCCNC=O.OCCc1ccccc1.
What is the InChIKey of N-(4-oxobutyl)formamide;2-phenylethanol?
The InChIKey is AEMDWWKDXDVCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C5H9NO2/c9-7-6-8-4-2-1-3-5-8;7-4-2-1-3-6-5-8/h1-5,9H,6-7H2;4-5H,1-3H2,(H,6,8).
What are the key properties of N-(4-oxobutyl)formamide;2-phenylethanol?
N-(4-oxobutyl)formamide;2-phenylethanol has a molecular weight of 237.30 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxobutyl)formamide;2-phenylethanol is sourced from PubChem (CID 175298453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).