N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide

C13H16N2O4 — CID 110294429

IUPACN-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)C1CCCO1
InChIInChI=1S/C13H16N2O4/c16-13(12-2-1-9-19-12)14-8-7-10-3-5-11(6-4-10)15(17)18/h3-6,12H,1-2,7-9H2,(H,14,16)
InChIKeyLHRTYYNEFZTPSI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.43
Rot. Bonds5

About N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide

N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide (PubChem CID 110294429) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
PubChem CID110294429
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)C1CCCO1
InChIInChI=1S/C13H16N2O4/c16-13(12-2-1-9-19-12)14-8-7-10-3-5-11(6-4-10)15(17)18/h3-6,12H,1-2,7-9H2,(H,14,16)
InChIKeyLHRTYYNEFZTPSI-UHFFFAOYSA-N
XLogP1.43
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790725
4-[2-(oxane-2-carbonylamino)ethyl]benzenesulfonyl chloride
CID 62213685
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
4-[2-(4-nitrophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673048
(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 81140879
1-[2-(4-nitrophenyl)ethyl]-3-(oxan-4-yl)urea
CID 110632856
(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide
CID 96559481
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 24643621
N-[2-(4-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745885
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide (CID 110294429) is N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide is O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CCCO1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is LHRTYYNEFZTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-13(12-2-1-9-19-12)14-8-7-10-3-5-11(6-4-10)15(17)18/h3-6,12H,1-2,7-9H2,(H,14,16).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide?
N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110294429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).