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

C14H20N2O4 — CID 100613530

IUPACethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N2O4/c1-2-19-14(18)16-11-7-5-10(6-8-11)15-13(17)12-4-3-9-20-12/h3-4,9-11H,2,5-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyZSMYVCWKJWLDDH-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.07
Rot. Bonds4

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

ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate (PubChem CID 100613530) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
PubChem CID100613530
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N2O4/c1-2-19-14(18)16-11-7-5-10(6-8-11)15-13(17)12-4-3-9-20-12/h3-4,9-11H,2,5-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyZSMYVCWKJWLDDH-UHFFFAOYSA-N
XLogP2.07
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
CID 115270327
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-cyclooctylfuran-2-carboxamide
CID 790432
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate?
The IUPAC name of ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate (CID 100613530) is ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate?
The canonical SMILES for ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate is CCOC(=O)NC1CCC(NC(=O)c2ccco2)CC1.
What is the InChIKey of ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate?
The InChIKey is ZSMYVCWKJWLDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-19-14(18)16-11-7-5-10(6-8-11)15-13(17)12-4-3-9-20-12/h3-4,9-11H,2,5-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate?
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.07, 4 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)cyclohexyl]carbamate is sourced from PubChem (CID 100613530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).