ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate

C14H18ClNO4 — CID 106685563

IUPACethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C14H18ClNO4/c1-2-19-14(18)9-3-5-10(6-4-9)16-13(17)11-7-8-20-12(11)15/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyAEOAAPGPTOADKH-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.78
Rot. Bonds4

About ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate

ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 106685563) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID106685563
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Nameethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C14H18ClNO4/c1-2-19-14(18)9-3-5-10(6-4-9)16-13(17)11-7-8-20-12(11)15/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyAEOAAPGPTOADKH-UHFFFAOYSA-N
XLogP2.78
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
ethyl 4-[(2-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 60932818
ethyl 4-[(6-chloropyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 62235259
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106687186
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
ethyl 4-[[4-(aminomethyl)benzoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297435
N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide
CID 106688549
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 106685563) is ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)c2ccoc2Cl)CC1.
What is the InChIKey of ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is AEOAAPGPTOADKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-2-19-14(18)9-3-5-10(6-4-9)16-13(17)11-7-8-20-12(11)15/h7-10H,2-6H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 299.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 106685563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).