methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate

C14H19NO4 — CID 115270327

IUPACmethyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C14H19NO4/c1-18-13(16)9-10-4-6-11(7-5-10)15-14(17)12-3-2-8-19-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,17)
InChIKeyWGPUOGOCJFTESF-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.13
Rot. Bonds4

About methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate

methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate (PubChem CID 115270327) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
PubChem CID115270327
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C14H19NO4/c1-18-13(16)9-10-4-6-11(7-5-10)15-14(17)12-3-2-8-19-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,17)
InChIKeyWGPUOGOCJFTESF-UHFFFAOYSA-N
XLogP2.13
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
CID 100613530
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-cyclooctylfuran-2-carboxamide
CID 790432
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
CID 75537873
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
CID 115267746

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate?
The IUPAC name of methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate (CID 115270327) is methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate is COC(=O)CC1CCC(NC(=O)c2ccco2)CC1.
What is the InChIKey of methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate?
The InChIKey is WGPUOGOCJFTESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13(16)9-10-4-6-11(7-5-10)15-14(17)12-3-2-8-19-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,17).
What are the key properties of methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate?
methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate has a molecular weight of 265.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate is sourced from PubChem (CID 115270327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).