ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate

C14H14N2O5 — CID 57172800

IUPACethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H14N2O5/c1-2-20-14(17)15-9-12-6-7-13(21-12)10-4-3-5-11(8-10)16(18)19/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyYHPPTLCAFDIUNG-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.10
Rot. Bonds5

About ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate

ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate (PubChem CID 57172800) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate
PubChem CID57172800
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Nameethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H14N2O5/c1-2-20-14(17)15-9-12-6-7-13(21-12)10-4-3-5-11(8-10)16(18)19/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyYHPPTLCAFDIUNG-UHFFFAOYSA-N
XLogP3.10
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.10
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

ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 6270175
diethyl 2,6-dimethyl-4-[5-(3-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 1345915
ethyl (2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3-oxobutanoate
CID 2302870
butyl-methyl-[[5-(3-nitrophenyl)furan-2-yl]methyl]azanium
CID 7443225
ethyl 6-(3-nitrophenyl)-4-oxopyran-2-carboxylate
CID 12784909
2-amino-1-[5-(3-nitrophenyl)furan-2-yl]ethanone
CID 170860008
2-[methyl-[[5-(3-nitrophenyl)furan-2-yl]methyl]amino]propanoic acid
CID 122036952
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
ethyl 2-(3-nitrophenyl)benzoate
CID 71742619
ethyl 2-[(3-nitrophenyl)methylamino]-2-oxoacetate
CID 10658438
N-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24588464
1-[5-(3-nitrophenyl)furan-2-yl]ethanol
CID 62499247

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate (CID 57172800) is ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate is CCOC(=O)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate?
The InChIKey is YHPPTLCAFDIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-2-20-14(17)15-9-12-6-7-13(21-12)10-4-3-5-11(8-10)16(18)19/h3-8H,2,9H2,1H3,(H,15,17).
What are the key properties of ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate?
ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate has a molecular weight of 290.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate is sourced from PubChem (CID 57172800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).