N-ethyl-4-morpholin-4-yl-3-nitrobenzamide

C13H17N3O4 — CID 18162145

IUPACN-ethyl-4-morpholin-4-yl-3-nitrobenzamide
SMILESCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O4/c1-2-14-13(17)10-3-4-11(12(9-10)16(18)19)15-5-7-20-8-6-15/h3-4,9H,2,5-8H2,1H3,(H,14,17)
InChIKeyQPLVTMHZVUTCEP-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.18
Rot. Bonds4

About N-ethyl-4-morpholin-4-yl-3-nitrobenzamide

N-ethyl-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 18162145) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-ethyl-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID18162145
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-4-morpholin-4-yl-3-nitrobenzamide
SMILESCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O4/c1-2-14-13(17)10-3-4-11(12(9-10)16(18)19)15-5-7-20-8-6-15/h3-4,9H,2,5-8H2,1H3,(H,14,17)
InChIKeyQPLVTMHZVUTCEP-UHFFFAOYSA-N
XLogP1.18
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.18
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-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
(2S)-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butanoic acid
CID 100650393
N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 110839509
N-[2-(diethylamino)-3-methylbutyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 42957538
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378817
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 2996088
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2930417
N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962073
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962122

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-ethyl-4-morpholin-4-yl-3-nitrobenzamide (CID 18162145) is N-ethyl-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-ethyl-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-ethyl-4-morpholin-4-yl-3-nitrobenzamide is CCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is QPLVTMHZVUTCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-14-13(17)10-3-4-11(12(9-10)16(18)19)15-5-7-20-8-6-15/h3-4,9H,2,5-8H2,1H3,(H,14,17).
What are the key properties of N-ethyl-4-morpholin-4-yl-3-nitrobenzamide?
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 279.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 18162145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).