4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide

C18H20N2O5 — CID 51217068

IUPAC4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O5/c1-4-25-17-11-15(20(22)23)14(10-16(17)24-3)18(21)19-12(2)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyHEOLIWPDCBSIJH-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.49
Rot. Bonds7

About 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide

4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide (PubChem CID 51217068) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide
PubChem CID51217068
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O5/c1-4-25-17-11-15(20(22)23)14(10-16(17)24-3)18(21)19-12(2)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyHEOLIWPDCBSIJH-UHFFFAOYSA-N
XLogP3.49
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.49
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

N-(2-amino-2-phenylethyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119527730
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46585062
N-[1-(2,4-dichlorophenyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 46654233
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 46401604
N-benzyl-N-butan-2-yl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 43033492
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41453308
4-ethoxy-N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methoxy-2-nitrobenzamide
CID 46533478
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 34049444
N-(3-amino-2-methylpropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide;hydrochloride
CID 119997363
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide (CID 51217068) is 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide is CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide?
The InChIKey is HEOLIWPDCBSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-25-17-11-15(20(22)23)14(10-16(17)24-3)18(21)19-12(2)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,19,21).
What are the key properties of 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide?
4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide has a molecular weight of 344.37 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 51217068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).