N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide

C13H18N2O5 — CID 27680733

IUPACN-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
SMILESCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C13H18N2O5/c1-3-20-8-4-7-14-13(16)11-9-10(15(17)18)5-6-12(11)19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyWGBJLLFTPVLPPQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.76
Rot. Bonds8

About N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide

N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide (PubChem CID 27680733) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
PubChem CID27680733
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
SMILESCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C13H18N2O5/c1-3-20-8-4-7-14-13(16)11-9-10(15(17)18)5-6-12(11)19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyWGBJLLFTPVLPPQ-UHFFFAOYSA-N
XLogP1.76
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide
CID 82941980
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394311
2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-nitrobenzamide
CID 9473476
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 39971109
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide (CID 27680733) is N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide is CCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide?
The InChIKey is WGBJLLFTPVLPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-20-8-4-7-14-13(16)11-9-10(15(17)18)5-6-12(11)19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide?
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide has a molecular weight of 282.30 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 27680733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).