2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate

C13H17N3O5 — CID 177431935

IUPAC2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OCCN1CCOCC1
InChIInChI=1S/C13H17N3O5/c17-13(21-10-7-15-5-8-20-9-6-15)14-11-1-3-12(4-2-11)16(18)19/h1-4H,5-10H2,(H,14,17)
InChIKeyYZQYUPZMIYOKRY-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.48
Rot. Bonds5

About 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate

2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate (PubChem CID 177431935) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
PubChem CID177431935
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OCCN1CCOCC1
InChIInChI=1S/C13H17N3O5/c17-13(21-10-7-15-5-8-20-9-6-15)14-11-1-3-12(4-2-11)16(18)19/h1-4H,5-10H2,(H,14,17)
InChIKeyYZQYUPZMIYOKRY-UHFFFAOYSA-N
XLogP1.48
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.48
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'}

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Related Compounds

2-(2,5-dioxopyrrol-1-yl)ethyl N-(4-nitrophenyl)carbamate
CID 71294606
2-fluoroethyl N-(4-nitrophenyl)carbamate
CID 86209590
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
butyl N-(4-nitrophenyl)carbamate
CID 522878
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134086224
(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate
CID 155782764
ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
CID 110292016
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513115
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
ethyl N-[4-(4-nitrophenyl)phenyl]carbamate
CID 139700668
(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
CID 108852937

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate (CID 177431935) is 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])cc1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate?
The InChIKey is YZQYUPZMIYOKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-13(21-10-7-15-5-8-20-9-6-15)14-11-1-3-12(4-2-11)16(18)19/h1-4H,5-10H2,(H,14,17).
What are the key properties of 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate?
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate has a molecular weight of 295.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate is sourced from PubChem (CID 177431935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).