N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide

C17H32N2O2 — CID 24832219

IUPACN,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)C1C2CCC(C)(C1O)C2(C)C
InChIInChI=1S/C17H32N2O2/c1-7-19(8-2)13(20)11-18(6)14-12-9-10-17(5,15(14)21)16(12,3)4/h12,14-15,21H,7-11H2,1-6H3
InChIKeyNUIUTWUJJLSMAW-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.97
Rot. Bonds5

About N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide

N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide (PubChem CID 24832219) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide
PubChem CID24832219
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)C1C2CCC(C)(C1O)C2(C)C
InChIInChI=1S/C17H32N2O2/c1-7-19(8-2)13(20)11-18(6)14-12-9-10-17(5,15(14)21)16(12,3)4/h12,14-15,21H,7-11H2,1-6H3
InChIKeyNUIUTWUJJLSMAW-UHFFFAOYSA-N
XLogP1.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(1S,2R,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 7054096
N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577152
(1,3-diethoxy-1,3-dioxopropan-2-yl)-[(1R,2S,3R,4R)-3-(dimethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-dimethylazanium
CID 98102730
(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine
CID 124768854
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
CID 54946712
N-(3,5-dimethylphenyl)-N-[(1R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 154926483
2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
CID 61451215
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
(1R,2S,3R,4R)-3-(butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 98129574
N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
CID 112683498
1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
CID 102377382

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide (CID 24832219) is N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide is CCN(CC)C(=O)CN(C)C1C2CCC(C)(C1O)C2(C)C.
What is the InChIKey of N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide?
The InChIKey is NUIUTWUJJLSMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-19(8-2)13(20)11-18(6)14-12-9-10-17(5,15(14)21)16(12,3)4/h12,14-15,21H,7-11H2,1-6H3.
What are the key properties of N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide?
N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide has a molecular weight of 296.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methylamino]acetamide is sourced from PubChem (CID 24832219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).