(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate

C15H14N2O5 — CID 118367352

IUPAC(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N2O5/c1-21-14-4-2-3-11(9-14)10-16-15(18)22-13-7-5-12(6-8-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyGNSZPKGIJSURHX-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.89
Rot. Bonds5

About (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate

(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate (PubChem CID 118367352) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate
PubChem CID118367352
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N2O5/c1-21-14-4-2-3-11(9-14)10-16-15(18)22-13-7-5-12(6-8-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyGNSZPKGIJSURHX-UHFFFAOYSA-N
XLogP2.89
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4-nitrophenyl) N-[(3-cyanophenyl)methyl]carbamate
CID 169150607
(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxamide
CID 10136847
N-[(3-methoxyphenyl)methyl]-2-(4-nitrophenyl)sulfonylpropanamide
CID 17436771
(3-methoxyphenyl) (4-nitrophenyl) carbonate
CID 67038917
(4-nitrophenyl) N-[(4-iodophenyl)methyl]carbamate
CID 139535288
(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
CID 118367349
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
CID 87005469
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
2-iodo-N-[(3-methoxyphenyl)methyl]-4-nitroaniline
CID 66095737

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate?
The IUPAC name of (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate (CID 118367352) is (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate?
The canonical SMILES for (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate is COc1cccc(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate?
The InChIKey is GNSZPKGIJSURHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-14-4-2-3-11(9-14)10-16-15(18)22-13-7-5-12(6-8-13)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate?
(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate has a molecular weight of 302.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 118367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).