(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide

C14H18N2O4 — CID 96559481

IUPAC(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide
SMILESCC(C)(NC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O4/c1-14(2,15-13(17)12-4-3-9-20-12)10-5-7-11(8-6-10)16(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyUAULSXBGNYQEKM-LBPRGKRZSA-N
MW278.31 g/mol
LogP2.13
Rot. Bonds4

About (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide

(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide (PubChem CID 96559481) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide
PubChem CID96559481
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide
SMILESCC(C)(NC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O4/c1-14(2,15-13(17)12-4-3-9-20-12)10-5-7-11(8-6-10)16(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyUAULSXBGNYQEKM-LBPRGKRZSA-N
XLogP2.13
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.13
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-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 110294429
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide
CID 110444555
(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide
CID 99795374
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
CID 107745486
N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide
CID 107681418
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
(2S)-N-[4-nitro-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7409203
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide (CID 96559481) is (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide is CC(C)(NC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide?
The InChIKey is UAULSXBGNYQEKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2,15-13(17)12-4-3-9-20-12)10-5-7-11(8-6-10)16(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide?
(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 96559481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).