N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide

C17H25NO2 — CID 904695

IUPACN-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccco1)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C
InChIInChI=1S/C17H25NO2/c1-12-8-13(2)17(14(3)9-12)11-18(15(4)19)10-16-6-5-7-20-16/h5-8,13-14,17H,9-11H2,1-4H3/t13-,14+,17-/m0/s1
InChIKeyUYZWGOWZOGYDPO-VBQJREDUSA-N
MW275.39 g/mol
LogP3.87
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide

N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide (PubChem CID 904695) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
PubChem CID904695
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccco1)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C
InChIInChI=1S/C17H25NO2/c1-12-8-13(2)17(14(3)9-12)11-18(15(4)19)10-16-6-5-7-20-16/h5-8,13-14,17H,9-11H2,1-4H3/t13-,14+,17-/m0/s1
InChIKeyUYZWGOWZOGYDPO-VBQJREDUSA-N
XLogP3.87
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 904694
N-methyl-N-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 11898076
N-(furan-2-ylmethyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160970
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113053917
2-[acetyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161143
3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 166415332
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide (CID 904695) is N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide is CC(=O)N(Cc1ccco1)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide?
The InChIKey is UYZWGOWZOGYDPO-VBQJREDUSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-8-13(2)17(14(3)9-12)11-18(15(4)19)10-16-6-5-7-20-16/h5-8,13-14,17H,9-11H2,1-4H3/t13-,14+,17-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide?
N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide has a molecular weight of 275.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide is sourced from PubChem (CID 904695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).