N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide

C15H19NO3 — CID 114105392

IUPACN-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide
SMILESCCC1OCCC1C(=O)c1ccc(N(C)C=O)cc1
InChIInChI=1S/C15H19NO3/c1-3-14-13(8-9-19-14)15(18)11-4-6-12(7-5-11)16(2)10-17/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyXKCUVXOBORVNKX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.28
Rot. Bonds5

About N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide

N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide (PubChem CID 114105392) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide
PubChem CID114105392
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide
SMILESCCC1OCCC1C(=O)c1ccc(N(C)C=O)cc1
InChIInChI=1S/C15H19NO3/c1-3-14-13(8-9-19-14)15(18)11-4-6-12(7-5-11)16(2)10-17/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyXKCUVXOBORVNKX-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethyloxolan-3-yl)-(4-propylphenyl)methanone
CID 114105377
(2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone
CID 114106630
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide
CID 130638177
(2R,3R)-2-ethyl-N-(6-methoxy-3-pyridinyl)-N-methyloxane-3-carboxamide
CID 129479274
(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone
CID 114105395
phenyl-(2-phenyloxolan-3-yl)methanone
CID 73097073
cyclohexene;4-[formyl(methyl)amino]benzoic acid
CID 174417248
(4-iodophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758034
(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114106570
[(2S,3R)-3-ethyloxiran-2-yl]-phenylmethanone
CID 10866861

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide (CID 114105392) is N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide is CCC1OCCC1C(=O)c1ccc(N(C)C=O)cc1.
What is the InChIKey of N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide?
The InChIKey is XKCUVXOBORVNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-14-13(8-9-19-14)15(18)11-4-6-12(7-5-11)16(2)10-17/h4-7,10,13-14H,3,8-9H2,1-2H3.
What are the key properties of N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide?
N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide has a molecular weight of 261.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide is sourced from PubChem (CID 114105392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).