ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate

C15H16N2O4 — CID 60712061

IUPACethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H16N2O4/c1-2-20-15(19)16-10-11-5-7-12(8-6-11)17-14(18)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyBOLYHPIJFDJNNA-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.78
Rot. Bonds5

About ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate

ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate (PubChem CID 60712061) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
PubChem CID60712061
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Nameethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H16N2O4/c1-2-20-15(19)16-10-11-5-7-12(8-6-11)17-14(18)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyBOLYHPIJFDJNNA-UHFFFAOYSA-N
XLogP2.78
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide
CID 76867602
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 119700833
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
benzene;ethyl N-benzylcarbamate
CID 67715166
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 51327731

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate (CID 60712061) is ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate is CCOC(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate?
The InChIKey is BOLYHPIJFDJNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-20-15(19)16-10-11-5-7-12(8-6-11)17-14(18)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate?
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate has a molecular weight of 288.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 60712061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).