N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide

C12H14N2O5 — CID 18524507

IUPACN-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1NC(=O)C1CC1
InChIInChI=1S/C12H14N2O5/c1-18-10-6-9(14(16)17)11(19-2)5-8(10)13-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyWQDQKCVFOGXRTL-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.96
Rot. Bonds5

About N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide

N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide (PubChem CID 18524507) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide
PubChem CID18524507
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1NC(=O)C1CC1
InChIInChI=1S/C12H14N2O5/c1-18-10-6-9(14(16)17)11(19-2)5-8(10)13-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyWQDQKCVFOGXRTL-UHFFFAOYSA-N
XLogP1.96
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 4-[(2,5-dimethoxy-4-nitrophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 155437834
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
CID 71409389
methyl 2-hydroxy-4-methoxy-5-nitrobenzoate
CID 71669123
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 108804459
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
N-(6-nitro-1,3-benzodioxol-5-yl)cyclopropanecarboxamide
CID 64592217

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide (CID 18524507) is N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide is COc1cc([N+](=O)[O-])c(OC)cc1NC(=O)C1CC1.
What is the InChIKey of N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide?
The InChIKey is WQDQKCVFOGXRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-18-10-6-9(14(16)17)11(19-2)5-8(10)13-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide?
N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 18524507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).