N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide

C15H20N4O5 — CID 30596526

IUPACN-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCC(=O)NCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N4O5/c1-11(20)16-4-5-17-15(21)12-2-3-13(14(10-12)19(22)23)18-6-8-24-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyFHNQNNXRMYSFEH-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.30
Rot. Bonds6

About N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide

N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 30596526) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID30596526
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC NameN-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCC(=O)NCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N4O5/c1-11(20)16-4-5-17-15(21)12-2-3-13(14(10-12)19(22)23)18-6-8-24-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyFHNQNNXRMYSFEH-UHFFFAOYSA-N
XLogP0.30
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 110839509
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2930417
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378817
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169
N-[2-(diethylamino)-3-methylbutyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 42957538
(2S)-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butanoic acid
CID 100650393
N-(2-acetamidoethyl)-4-methyl-3-nitrobenzamide
CID 30595645
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
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

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide (CID 30596526) is N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide is CC(=O)NCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is FHNQNNXRMYSFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-11(20)16-4-5-17-15(21)12-2-3-13(14(10-12)19(22)23)18-6-8-24-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide?
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 336.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 30596526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).