phenyl N-(4-methoxy-3-nitrophenyl)carbamate

C14H12N2O5 — CID 12877201

IUPACphenyl N-(4-methoxy-3-nitrophenyl)carbamate
SMILESCOc1ccc(NC(=O)Oc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c1-20-13-8-7-10(9-12(13)16(18)19)15-14(17)21-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKeyJYRMPINFRZRMIW-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.21
Rot. Bonds4

About phenyl N-(4-methoxy-3-nitrophenyl)carbamate

phenyl N-(4-methoxy-3-nitrophenyl)carbamate (PubChem CID 12877201) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is phenyl N-(4-methoxy-3-nitrophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methoxy-3-nitrophenyl)carbamate
PubChem CID12877201
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Namephenyl N-(4-methoxy-3-nitrophenyl)carbamate
SMILESCOc1ccc(NC(=O)Oc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c1-20-13-8-7-10(9-12(13)16(18)19)15-14(17)21-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKeyJYRMPINFRZRMIW-UHFFFAOYSA-N
XLogP3.21
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.21
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

phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909
phenyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 12941467
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
methyl 2-methoxy-5-[(4-nitrophenoxy)carbonylamino]benzoate
CID 58572101
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
2-(4-methoxy-3-nitroanilino)propanoic acid
CID 113385258
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 113385263
N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-2-methylbenzamide
CID 17100410

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methoxy-3-nitrophenyl)carbamate?
The IUPAC name of phenyl N-(4-methoxy-3-nitrophenyl)carbamate (CID 12877201) is phenyl N-(4-methoxy-3-nitrophenyl)carbamate.
What is the SMILES notation for phenyl N-(4-methoxy-3-nitrophenyl)carbamate?
The canonical SMILES for phenyl N-(4-methoxy-3-nitrophenyl)carbamate is COc1ccc(NC(=O)Oc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of phenyl N-(4-methoxy-3-nitrophenyl)carbamate?
The InChIKey is JYRMPINFRZRMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-20-13-8-7-10(9-12(13)16(18)19)15-14(17)21-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17).
What are the key properties of phenyl N-(4-methoxy-3-nitrophenyl)carbamate?
phenyl N-(4-methoxy-3-nitrophenyl)carbamate has a molecular weight of 288.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methoxy-3-nitrophenyl)carbamate is sourced from PubChem (CID 12877201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).