N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide

C17H28N2O3 — CID 96567193

IUPACN-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide
SMILESC[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)NCc2ccco2)C1
InChIInChI=1S/C17H28N2O3/c1-13-7-16(2,3)11-17(8-13,12-20)19-10-15(21)18-9-14-5-4-6-22-14/h4-6,13,19-20H,7-12H2,1-3H3,(H,18,21)/t13-,17+/m0/s1
InChIKeyBQQGJISXNFVIPM-SUMWQHHRSA-N
MW308.42 g/mol
LogP2.06
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide

N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide (PubChem CID 96567193) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide
PubChem CID96567193
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide
SMILESC[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)NCc2ccco2)C1
InChIInChI=1S/C17H28N2O3/c1-13-7-16(2,3)11-17(8-13,12-20)19-10-15(21)18-9-14-5-4-6-22-14/h4-6,13,19-20H,7-12H2,1-3H3,(H,18,21)/t13-,17+/m0/s1
InChIKeyBQQGJISXNFVIPM-SUMWQHHRSA-N
XLogP2.06
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide with MolForge

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Related Compounds

[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9108031
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9108039
1-(furan-2-ylmethylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114990378
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
N-(furan-2-ylmethyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 80591421
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925
N-(furan-2-ylmethyl)-2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 111143803
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide (CID 96567193) is N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide is C[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)NCc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide?
The InChIKey is BQQGJISXNFVIPM-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-7-16(2,3)11-17(8-13,12-20)19-10-15(21)18-9-14-5-4-6-22-14/h4-6,13,19-20H,7-12H2,1-3H3,(H,18,21)/t13-,17+/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide?
N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide has a molecular weight of 308.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide is sourced from PubChem (CID 96567193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).