N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide

C17H25NO3 — CID 772636

IUPACN-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccco1)C[C@H]1CCCO1
InChIInChI=1S/C17H25NO3/c19-17(14-6-2-1-3-7-14)18(12-15-8-4-10-20-15)13-16-9-5-11-21-16/h4,8,10,14,16H,1-3,5-7,9,11-13H2/t16-/m1/s1
InChIKeyGEEWXBXRGDOSMF-MRXNPFEDSA-N
MW291.39 g/mol
LogP3.37
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide

N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 772636) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
PubChem CID772636
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccco1)C[C@H]1CCCO1
InChIInChI=1S/C17H25NO3/c19-17(14-6-2-1-3-7-14)18(12-15-8-4-10-20-15)13-16-9-5-11-21-16/h4,8,10,14,16H,1-3,5-7,9,11-13H2/t16-/m1/s1
InChIKeyGEEWXBXRGDOSMF-MRXNPFEDSA-N
XLogP3.37
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40596895
(7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97329891
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75470259
(1R)-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 124578245
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94653061
3-(3-chloro-2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577089
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide (CID 772636) is N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1ccco1)C[C@H]1CCCO1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is GEEWXBXRGDOSMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO3/c19-17(14-6-2-1-3-7-14)18(12-15-8-4-10-20-15)13-16-9-5-11-21-16/h4,8,10,14,16H,1-3,5-7,9,11-13H2/t16-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide?
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 772636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).