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

C15H14N2O5 — CID 118367349

IUPAC(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
SMILESCOc1cccc(COC(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N2O5/c1-21-14-4-2-3-11(9-14)10-22-15(18)16-12-5-7-13(8-6-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyWEQQUYMWUTXFII-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.35
Rot. Bonds5

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

(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate (PubChem CID 118367349) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
PubChem CID118367349
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
SMILESCOc1cccc(COC(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N2O5/c1-21-14-4-2-3-11(9-14)10-22-15(18)16-12-5-7-13(8-6-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyWEQQUYMWUTXFII-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
CID 43469136
(3R)-3-[(3-methoxyphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoic acid
CID 7329545
(3-methoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate
CID 32713096
(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate
CID 118367352
[3-(4-nitrophenoxy)phenyl]methyl 4-(4-nitroanilino)-4-oxobutanoate
CID 126186422
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
CID 134125017
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849
(4-nitrophenyl)methyl N-[4-(chlorodisulfanyl)phenyl]carbamate
CID 21150662
(4-nitrophenyl)methyl N-pyridin-3-ylcarbamate
CID 67585482

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate?
The IUPAC name of (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate (CID 118367349) is (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate.
What is the SMILES notation for (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate?
The canonical SMILES for (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate is COc1cccc(COC(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate?
The InChIKey is WEQQUYMWUTXFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-14-4-2-3-11(9-14)10-22-15(18)16-12-5-7-13(8-6-12)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate?
(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate has a molecular weight of 302.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate is sourced from PubChem (CID 118367349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).