ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate

C17H18N2O4 — CID 86851812

IUPACethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C2CC2c2ccco2)cc1
InChIInChI=1S/C17H18N2O4/c1-2-22-17(21)19-12-7-5-11(6-8-12)18-16(20)14-10-13(14)15-4-3-9-23-15/h3-9,13-14H,2,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyVIXIFTLZFRTUKJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.59
Rot. Bonds5

About ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate

ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate (PubChem CID 86851812) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
PubChem CID86851812
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C2CC2c2ccco2)cc1
InChIInChI=1S/C17H18N2O4/c1-2-22-17(21)19-12-7-5-11(6-8-12)18-16(20)14-10-13(14)15-4-3-9-23-15/h3-9,13-14H,2,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyVIXIFTLZFRTUKJ-UHFFFAOYSA-N
XLogP3.59
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851939
N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 71936659
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 75405611
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166375052
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851788
2-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-6-methylbenzamide
CID 86851867
ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 71920970
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
cis-(1R,2S)-2-(furan-2-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 97003815

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate (CID 86851812) is ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)C2CC2c2ccco2)cc1.
What is the InChIKey of ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate?
The InChIKey is VIXIFTLZFRTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-22-17(21)19-12-7-5-11(6-8-12)18-16(20)14-10-13(14)15-4-3-9-23-15/h3-9,13-14H,2,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate?
ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate has a molecular weight of 314.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 86851812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).