furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate

C15H12N2O4 — CID 54008766

IUPACfuran-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate
SMILESN#Cc1cccc(C(C=O)NC(=O)OCc2ccco2)c1
InChIInChI=1S/C15H12N2O4/c16-8-11-3-1-4-12(7-11)14(9-18)17-15(19)21-10-13-5-2-6-20-13/h1-7,9,14H,10H2,(H,17,19)
InChIKeyBVTPHWOJJJHXFD-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.32
Rot. Bonds5

About furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate

furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate (PubChem CID 54008766) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namefuran-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate
PubChem CID54008766
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Namefuran-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate
SMILESN#Cc1cccc(C(C=O)NC(=O)OCc2ccco2)c1
InChIInChI=1S/C15H12N2O4/c16-8-11-3-1-4-12(7-11)14(9-18)17-15(19)21-10-13-5-2-6-20-13/h1-7,9,14H,10H2,(H,17,19)
InChIKeyBVTPHWOJJJHXFD-UHFFFAOYSA-N
XLogP2.32
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile
CID 83173061
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086720
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
(3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate
CID 7852177
(3-cyanophenyl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765848
4-amino-3-(furan-2-ylmethoxy)benzonitrile
CID 104712381
tert-butyl N-[1-(3-cyanophenyl)-3-oxopropyl]carbamate
CID 91126844
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515
2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229
methyl 3-amino-3-(3-cyanophenyl)propanoate
CID 163277397
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
CID 55660949

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate?
The IUPAC name of furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate (CID 54008766) is furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate.
What is the SMILES notation for furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate?
The canonical SMILES for furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate is N#Cc1cccc(C(C=O)NC(=O)OCc2ccco2)c1.
What is the InChIKey of furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate?
The InChIKey is BVTPHWOJJJHXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c16-8-11-3-1-4-12(7-11)14(9-18)17-15(19)21-10-13-5-2-6-20-13/h1-7,9,14H,10H2,(H,17,19).
What are the key properties of furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate?
furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate has a molecular weight of 284.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 54008766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).