N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide

C19H20N2O5 — CID 33078016

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)c1
InChIInChI=1S/C19H20N2O5/c1-25-17-9-10-18(26-2)14(11-17)12-20(15-7-8-15)19(22)13-3-5-16(6-4-13)21(23)24/h3-6,9-11,15H,7-8,12H2,1-2H3
InChIKeyOOVLIEALSUNVBS-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.42
Rot. Bonds7

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide (PubChem CID 33078016) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
PubChem CID33078016
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)c1
InChIInChI=1S/C19H20N2O5/c1-25-17-9-10-18(26-2)14(11-17)12-20(15-7-8-15)19(22)13-3-5-16(6-4-13)21(23)24/h3-6,9-11,15H,7-8,12H2,1-2H3
InChIKeyOOVLIEALSUNVBS-UHFFFAOYSA-N
XLogP3.42
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
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

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
CID 43065807
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(ethylsulfanylmethyl)benzamide
CID 55872323
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33081136
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 33081787
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 32588865
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177
(E)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 33078421

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide (CID 33078016) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide is COc1ccc(OC)c(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide?
The InChIKey is OOVLIEALSUNVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-17-9-10-18(26-2)14(11-17)12-20(15-7-8-15)19(22)13-3-5-16(6-4-13)21(23)24/h3-6,9-11,15H,7-8,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide has a molecular weight of 356.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 33078016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).