N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide

C15H20N2O6 — CID 24643621

IUPACN-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cc(CCNC(=O)C2CCCO2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H20N2O6/c1-21-13-8-10(11(17(19)20)9-14(13)22-2)5-6-16-15(18)12-4-3-7-23-12/h8-9,12H,3-7H2,1-2H3,(H,16,18)
InChIKeyUTCDJUMKKIVZDV-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.45
Rot. Bonds7

About N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide

N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide (PubChem CID 24643621) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide
PubChem CID24643621
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC NameN-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cc(CCNC(=O)C2CCCO2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H20N2O6/c1-21-13-8-10(11(17(19)20)9-14(13)22-2)5-6-16-15(18)12-4-3-7-23-12/h8-9,12H,3-7H2,1-2H3,(H,16,18)
InChIKeyUTCDJUMKKIVZDV-UHFFFAOYSA-N
XLogP1.45
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789647
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110788813
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789686
1-cyclohexyl-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]thiourea
CID 9239860
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbutanamide
CID 24622437
3-amino-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide
CID 119274215
N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 110294429
6-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 26977321
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 46421443
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide
CID 46637806

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide (CID 24643621) is N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide is COc1cc(CCNC(=O)C2CCCO2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is UTCDJUMKKIVZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-21-13-8-10(11(17(19)20)9-14(13)22-2)5-6-16-15(18)12-4-3-7-23-12/h8-9,12H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide?
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 24643621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).