(4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate

C12H16N2O5 — CID 167089438

IUPAC(4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate
SMILESCOCCOCCNC(=O)Oc1ccc(N=O)cc1
InChIInChI=1S/C12H16N2O5/c1-17-8-9-18-7-6-13-12(15)19-11-4-2-10(14-16)3-5-11/h2-5H,6-9H2,1H3,(H,13,15)
InChIKeyGSCMHSURYXWBHZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.84
Rot. Bonds8

About (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate

(4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate (PubChem CID 167089438) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Name(4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate
PubChem CID167089438
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate
SMILESCOCCOCCNC(=O)Oc1ccc(N=O)cc1
InChIInChI=1S/C12H16N2O5/c1-17-8-9-18-7-6-13-12(15)19-11-4-2-10(14-16)3-5-11/h2-5H,6-9H2,1H3,(H,13,15)
InChIKeyGSCMHSURYXWBHZ-UHFFFAOYSA-N
XLogP1.84
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) N-(2-methoxyethyl)carbamate
CID 121219063
[4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 176955321
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
[4-[[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]carbamoyl]phenyl] 4-(diaminomethylideneamino)benzoate
CID 20641918
(4-isothiocyanatophenyl) N-butylcarbamate
CID 21489009
methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate
CID 2834246
2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429010
(4-nitrophenyl) N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 153437961
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 177055297

Frequently Asked Questions

What is the IUPAC name of (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate?
The IUPAC name of (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate (CID 167089438) is (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate.
What is the SMILES notation for (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate?
The canonical SMILES for (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate is COCCOCCNC(=O)Oc1ccc(N=O)cc1.
What is the InChIKey of (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate?
The InChIKey is GSCMHSURYXWBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-17-8-9-18-7-6-13-12(15)19-11-4-2-10(14-16)3-5-11/h2-5H,6-9H2,1H3,(H,13,15).
What are the key properties of (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate?
(4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate has a molecular weight of 268.27 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate is sourced from PubChem (CID 167089438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).