N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide

C12H17NO3 — CID 115270100

IUPACN-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)C1CCC(O)CC1
InChIInChI=1S/C12H17NO3/c1-13(9-4-6-10(14)7-5-9)12(15)11-3-2-8-16-11/h2-3,8-10,14H,4-7H2,1H3
InChIKeyAIRAFUJXVLHFFA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.66
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide

N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide (PubChem CID 115270100) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
PubChem CID115270100
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)C1CCC(O)CC1
InChIInChI=1S/C12H17NO3/c1-13(9-4-6-10(14)7-5-9)12(15)11-3-2-8-16-11/h2-3,8-10,14H,4-7H2,1H3
InChIKeyAIRAFUJXVLHFFA-UHFFFAOYSA-N
XLogP1.66
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270420
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylfuran-2-carboxamide
CID 115270397
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
N-methyl-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 42951861
tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate
CID 75408320
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylfuran-2-carboxamide
CID 587722
N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 53185697
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide
CID 115277407
2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid
CID 11383314

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide (CID 115270100) is N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)C1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide?
The InChIKey is AIRAFUJXVLHFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(9-4-6-10(14)7-5-9)12(15)11-3-2-8-16-11/h2-3,8-10,14H,4-7H2,1H3.
What are the key properties of N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide?
N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 115270100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).