[1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate

C19H22N2O6 — CID 68966893

IUPAC[1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCCOc1cc(CC(C)(C)OC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O6/c1-4-25-17-11-13(12-19(2,3)27-18(20)22)5-10-16(17)26-15-8-6-14(7-9-15)21(23)24/h5-11H,4,12H2,1-3H3,(H2,20,22)
InChIKeyVSNIYERMPSQYIY-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.20
Rot. Bonds8

About [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate

[1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 68966893) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID68966893
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name[1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCCOc1cc(CC(C)(C)OC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O6/c1-4-25-17-11-13(12-19(2,3)27-18(20)22)5-10-16(17)26-15-8-6-14(7-9-15)21(23)24/h5-11H,4,12H2,1-3H3,(H2,20,22)
InChIKeyVSNIYERMPSQYIY-UHFFFAOYSA-N
XLogP4.20
TPSA113.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.20
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

[1-[3-methoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 68969954
[1-[4-[4-[[4-(2-methoxy-4-nitrophenoxy)phenyl]methoxy]phenoxy]piperidin-1-yl]-2-methylpropan-2-yl] carbamate
CID 68967040
[1-[2-fluoro-4-(2-hydroxy-4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 68966884
[5-ethoxy-2-fluoro-4-(4-nitrophenoxy)phenyl] N-tert-butylcarbamate
CID 141158277
[2-methyl-1-[4-[4-[(4-methylphenyl)carbamoyl]-2-nitrophenoxy]phenyl]propan-2-yl] carbamate
CID 174670819
2-(4-ethoxyphenoxy)-5-nitroaniline
CID 62506652
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
[2,3-dimethyl-4-(4-nitrophenyl)butan-2-yl] carbamate
CID 150316550
2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide
CID 16756875
[2-methyl-1-[4-(2-methyl-4-nitrophenoxy)phenyl]propan-2-yl]carbamic acid
CID 90686642
[1-[4-(3-bromopropoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 175277508
(4-nitrophenyl) (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 2071705

Frequently Asked Questions

What is the IUPAC name of [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate (CID 68966893) is [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate is CCOc1cc(CC(C)(C)OC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is VSNIYERMPSQYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-25-17-11-13(12-19(2,3)27-18(20)22)5-10-16(17)26-15-8-6-14(7-9-15)21(23)24/h5-11H,4,12H2,1-3H3,(H2,20,22).
What are the key properties of [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate?
[1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 374.39 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-ethoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 68966893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).