N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide

C16H24N2O3 — CID 108958927

IUPACN-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccco1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-16(2,14(19)17-11-13-9-6-10-21-13)15(20)18-12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRGEOUXDQGNRDOP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.37
Rot. Bonds5

About N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide

N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide (PubChem CID 108958927) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
PubChem CID108958927
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccco1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-16(2,14(19)17-11-13-9-6-10-21-13)15(20)18-12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRGEOUXDQGNRDOP-UHFFFAOYSA-N
XLogP2.37
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384
1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110991138
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8789325
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961477

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide (CID 108958927) is N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NCc1ccco1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The InChIKey is RGEOUXDQGNRDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,14(19)17-11-13-9-6-10-21-13)15(20)18-12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide has a molecular weight of 292.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).