[2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate

C18H20N2O6 — CID 150318570

IUPAC[2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate
SMILESCCOc1cc([N+](=O)[O-])c(OCC)cc1Cc1ccccc1OC(N)=O
InChIInChI=1S/C18H20N2O6/c1-3-24-16-11-14(20(22)23)17(25-4-2)10-13(16)9-12-7-5-6-8-15(12)26-18(19)21/h5-8,10-11H,3-4,9H2,1-2H3,(H2,19,21)
InChIKeyGNCYTSVVWLUKNU-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.44
Rot. Bonds8

About [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate

[2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate (PubChem CID 150318570) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate.

Molecular Properties

Compound Name[2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate
PubChem CID150318570
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name[2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate
SMILESCCOc1cc([N+](=O)[O-])c(OCC)cc1Cc1ccccc1OC(N)=O
InChIInChI=1S/C18H20N2O6/c1-3-24-16-11-14(20(22)23)17(25-4-2)10-13(16)9-12-7-5-6-8-15(12)26-18(19)21/h5-8,10-11H,3-4,9H2,1-2H3,(H2,19,21)
InChIKeyGNCYTSVVWLUKNU-UHFFFAOYSA-N
XLogP3.44
TPSA113.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.44
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 [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] 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-[(2,5-dimethoxy-4-nitrophenyl)methyl]phenyl] carbamate
CID 151877722
phenyl N-[(2,5-diethoxy-4-nitrophenyl)methyl]carbamate
CID 141451542
(2-methylphenyl)methyl 4-ethoxy-3-nitrobenzoate
CID 9389545
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519
2-(3-ethoxy-2-nitrophenyl)acetamide
CID 69300163
2-(2-ethoxy-6-nitrophenyl)acetic acid
CID 84689611
(2-nitrophenyl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666474
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9393219
ethoxy (2-nitrophenyl) carbonate
CID 88781671
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate?
The IUPAC name of [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate (CID 150318570) is [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate.
What is the SMILES notation for [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate?
The canonical SMILES for [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate is CCOc1cc([N+](=O)[O-])c(OCC)cc1Cc1ccccc1OC(N)=O.
What is the InChIKey of [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate?
The InChIKey is GNCYTSVVWLUKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-3-24-16-11-14(20(22)23)17(25-4-2)10-13(16)9-12-7-5-6-8-15(12)26-18(19)21/h5-8,10-11H,3-4,9H2,1-2H3,(H2,19,21).
What are the key properties of [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate?
[2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate has a molecular weight of 360.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-diethoxy-4-nitrophenyl)methyl]phenyl] carbamate is sourced from PubChem (CID 150318570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).