propyl N-(5-methoxy-2-nitrophenyl)carbamate

C11H14N2O5 — CID 3109726

IUPACpropyl N-(5-methoxy-2-nitrophenyl)carbamate
SMILESCCCOC(=O)Nc1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-3-6-18-11(14)12-9-7-8(17-2)4-5-10(9)13(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14)
InChIKeyXOXJRBXRQZTJSE-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.56
Rot. Bonds5

About propyl N-(5-methoxy-2-nitrophenyl)carbamate

propyl N-(5-methoxy-2-nitrophenyl)carbamate (PubChem CID 3109726) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is propyl N-(5-methoxy-2-nitrophenyl)carbamate.

Molecular Properties

Compound Namepropyl N-(5-methoxy-2-nitrophenyl)carbamate
PubChem CID3109726
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namepropyl N-(5-methoxy-2-nitrophenyl)carbamate
SMILESCCCOC(=O)Nc1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-3-6-18-11(14)12-9-7-8(17-2)4-5-10(9)13(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14)
InChIKeyXOXJRBXRQZTJSE-UHFFFAOYSA-N
XLogP2.56
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.56
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

2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
CID 168520140
[2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-chlorobenzoate
CID 9067592
2-(hydroxymethyl)-2-(5-methoxy-2-nitroanilino)propane-1,3-diol
CID 107849465
dimethyl (E)-2-(5-methoxy-2-nitroanilino)but-2-enedioate
CID 168569594
3-methoxy-2-(5-methoxy-2-nitroanilino)propan-1-ol
CID 106186479
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2-nitroaniline
CID 79034025
N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide
CID 79769955
propyl N-(2-nitroanilino)carbamate
CID 68978781
5-(5-methoxy-2-nitroanilino)pentan-1-ol
CID 107302413
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(2-chloroprop-2-enyl)-5-methoxy-2-nitroaniline
CID 115657655
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661

Frequently Asked Questions

What is the IUPAC name of propyl N-(5-methoxy-2-nitrophenyl)carbamate?
The IUPAC name of propyl N-(5-methoxy-2-nitrophenyl)carbamate (CID 3109726) is propyl N-(5-methoxy-2-nitrophenyl)carbamate.
What is the SMILES notation for propyl N-(5-methoxy-2-nitrophenyl)carbamate?
The canonical SMILES for propyl N-(5-methoxy-2-nitrophenyl)carbamate is CCCOC(=O)Nc1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of propyl N-(5-methoxy-2-nitrophenyl)carbamate?
The InChIKey is XOXJRBXRQZTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-3-6-18-11(14)12-9-7-8(17-2)4-5-10(9)13(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14).
What are the key properties of propyl N-(5-methoxy-2-nitrophenyl)carbamate?
propyl N-(5-methoxy-2-nitrophenyl)carbamate has a molecular weight of 254.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(5-methoxy-2-nitrophenyl)carbamate is sourced from PubChem (CID 3109726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).