N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide

C16H24N2O2 — CID 83039025

IUPACN-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-4-17-13-7-5-12(6-8-13)15(19)18-14-9-10-20-16(2,3)11-14/h5-8,14,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyDUDBZIMXPQCFBI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.81
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide

N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide (PubChem CID 83039025) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
PubChem CID83039025
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-4-17-13-7-5-12(6-8-13)15(19)18-14-9-10-20-16(2,3)11-14/h5-8,14,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyDUDBZIMXPQCFBI-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 83039304
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
4-(ethylamino)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356898
4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
N-(2,2-dimethyloxan-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 83035650
3-(chloromethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033483
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994
1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
CID 3688648
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide (CID 83039025) is N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide is CCNc1ccc(C(=O)NC2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide?
The InChIKey is DUDBZIMXPQCFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-13-7-5-12(6-8-13)15(19)18-14-9-10-20-16(2,3)11-14/h5-8,14,17H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide?
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide is sourced from PubChem (CID 83039025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).