N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide

C19H20N2O4 — CID 38270776

IUPACN-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-2-25-18-11-8-15(12-17(18)21(23)24)19(22)20(16-9-10-16)13-14-6-4-3-5-7-14/h3-8,11-12,16H,2,9-10,13H2,1H3
InChIKeyNHMMRFYPJFRICH-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.80
Rot. Bonds7

About N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide

N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide (PubChem CID 38270776) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
PubChem CID38270776
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-2-25-18-11-8-15(12-17(18)21(23)24)19(22)20(16-9-10-16)13-14-6-4-3-5-7-14/h3-8,11-12,16H,2,9-10,13H2,1H3
InChIKeyNHMMRFYPJFRICH-UHFFFAOYSA-N
XLogP3.80
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
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-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
CID 25486643
N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9299408
N-benzyl-4-ethoxy-3-nitro-N-propan-2-ylbenzamide
CID 30099872
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 17495591
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide
CID 120884384
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884383
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9298751
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
3-[(4-ethoxy-3-nitrobenzoyl)-ethylamino]propanoic acid
CID 119191364
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506
[2-(cyclopropylamino)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9390119

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide (CID 38270776) is N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide is CCOc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide?
The InChIKey is NHMMRFYPJFRICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-25-18-11-8-15(12-17(18)21(23)24)19(22)20(16-9-10-16)13-14-6-4-3-5-7-14/h3-8,11-12,16H,2,9-10,13H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide?
N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide has a molecular weight of 340.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide is sourced from PubChem (CID 38270776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).