ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate

C13H17N3O5 — CID 68819492

IUPACethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1cccc([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C13H17N3O5/c1-2-21-13(17)14-10-4-3-5-11(16(18)19)12(10)15-6-8-20-9-7-15/h3-5H,2,6-9H2,1H3,(H,14,17)
InChIKeyOCBINIQFIKWTMU-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.00
Rot. Bonds4

About ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate

ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate (PubChem CID 68819492) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate
PubChem CID68819492
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Nameethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1cccc([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C13H17N3O5/c1-2-21-13(17)14-10-4-3-5-11(16(18)19)12(10)15-6-8-20-9-7-15/h3-5H,2,6-9H2,1H3,(H,14,17)
InChIKeyOCBINIQFIKWTMU-UHFFFAOYSA-N
XLogP2.00
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate 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

2,4-dimethyl-5-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid
CID 120538235
tert-butyl N-(3-morpholin-4-yl-2-nitrophenyl)carbamate
CID 175353189
2-methyl-5-[[(2-morpholin-4-yl-3-nitrobenzoyl)amino]methyl]furan-3-carboxylic acid
CID 120523884
2-morpholin-4-yl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 86782454
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
CID 110292016
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
methyl 2-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]acetate
CID 79764686
ethyl 1-(2-cyano-6-nitrophenyl)piperidine-4-carboxylate
CID 171316301
1-(2-methyl-3-nitrophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 47032405
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate?
The IUPAC name of ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate (CID 68819492) is ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate.
What is the SMILES notation for ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate?
The canonical SMILES for ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate is CCOC(=O)Nc1cccc([N+](=O)[O-])c1N1CCOCC1.
What is the InChIKey of ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate?
The InChIKey is OCBINIQFIKWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-2-21-13(17)14-10-4-3-5-11(16(18)19)12(10)15-6-8-20-9-7-15/h3-5H,2,6-9H2,1H3,(H,14,17).
What are the key properties of ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate?
ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate has a molecular weight of 295.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-morpholin-4-yl-3-nitrophenyl)carbamate is sourced from PubChem (CID 68819492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).