N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide

C20H22N2O5 — CID 9299408

IUPACN-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H22N2O5/c1-3-27-19-11-6-15(12-18(19)22(24)25)20(23)21(16-7-8-16)13-14-4-9-17(26-2)10-5-14/h4-6,9-12,16H,3,7-8,13H2,1-2H3
InChIKeyXUNRGVOEJRHIPJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.81
Rot. Bonds8

About N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide

N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide (PubChem CID 9299408) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
PubChem CID9299408
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H22N2O5/c1-3-27-19-11-6-15(12-18(19)22(24)25)20(23)21(16-7-8-16)13-14-4-9-17(26-2)10-5-14/h4-6,9-12,16H,3,7-8,13H2,1-2H3
InChIKeyXUNRGVOEJRHIPJ-UHFFFAOYSA-N
XLogP3.81
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.81
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-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
CID 38270776
4-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9298751
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
CID 25486643
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 17495591
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
CID 9298244
N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126156130
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate
CID 34860647
[4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110939
4-ethoxy-N-[(3-methoxyphenyl)methyl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 48523603
1-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-nitrophenyl]ethanone
CID 55393971

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide (CID 9299408) is N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide is CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide?
The InChIKey is XUNRGVOEJRHIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-27-19-11-6-15(12-18(19)22(24)25)20(23)21(16-7-8-16)13-14-4-9-17(26-2)10-5-14/h4-6,9-12,16H,3,7-8,13H2,1-2H3.
What are the key properties of N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide?
N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide has a molecular weight of 370.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 9299408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).