methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate

C14H19NO4 — CID 115270420

IUPACmethyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(N(C)C(=O)c2ccco2)CC1
InChIInChI=1S/C14H19NO4/c1-15(13(16)12-4-3-9-19-12)11-7-5-10(6-8-11)14(17)18-2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyRTQUWTVSABXNSW-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.08
Rot. Bonds3

About methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate

methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate (PubChem CID 115270420) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
PubChem CID115270420
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(N(C)C(=O)c2ccco2)CC1
InChIInChI=1S/C14H19NO4/c1-15(13(16)12-4-3-9-19-12)11-7-5-10(6-8-11)14(17)18-2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyRTQUWTVSABXNSW-UHFFFAOYSA-N
XLogP2.08
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 115270100
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylfuran-2-carboxamide
CID 115270397
tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate
CID 75408320
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
N-methyl-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 42951861
methyl 4-[methoxycarbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270421
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylfuran-2-carboxamide
CID 587722
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 53185697
methyl 4-(3-fluoro-N-methylanilino)cyclohexane-1-carboxylate
CID 115149250
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998

Frequently Asked Questions

What is the IUPAC name of methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate (CID 115270420) is methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(N(C)C(=O)c2ccco2)CC1.
What is the InChIKey of methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate?
The InChIKey is RTQUWTVSABXNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(13(16)12-4-3-9-19-12)11-7-5-10(6-8-11)14(17)18-2/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate?
methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115270420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).