N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide

C19H32N2O — CID 71038606

IUPACN-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide
SMILESCCN(CC)CNC(=O)c1c(C)cc(C(C)(C)CC)cc1C
InChIInChI=1S/C19H32N2O/c1-8-19(6,7)16-11-14(4)17(15(5)12-16)18(22)20-13-21(9-2)10-3/h11-12H,8-10,13H2,1-7H3,(H,20,22)
InChIKeyWBYATAKGNWTHGE-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.02
Rot. Bonds7

About N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide

N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide (PubChem CID 71038606) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide
PubChem CID71038606
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide
SMILESCCN(CC)CNC(=O)c1c(C)cc(C(C)(C)CC)cc1C
InChIInChI=1S/C19H32N2O/c1-8-19(6,7)16-11-14(4)17(15(5)12-16)18(22)20-13-21(9-2)10-3/h11-12H,8-10,13H2,1-7H3,(H,20,22)
InChIKeyWBYATAKGNWTHGE-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
4-tert-butyl-N-(cyanomethyl)-2,6-dimethylbenzamide
CID 82478635
4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
CID 96666562
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
N-[3-(bromomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 114315150
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
N-[2-(diethylamino)ethyl]-3-methylacridine-4-carboxamide
CID 143617146

Frequently Asked Questions

What is the IUPAC name of N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide?
The IUPAC name of N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide (CID 71038606) is N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide is CCN(CC)CNC(=O)c1c(C)cc(C(C)(C)CC)cc1C.
What is the InChIKey of N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide?
The InChIKey is WBYATAKGNWTHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-8-19(6,7)16-11-14(4)17(15(5)12-16)18(22)20-13-21(9-2)10-3/h11-12H,8-10,13H2,1-7H3,(H,20,22).
What are the key properties of N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide?
N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide has a molecular weight of 304.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 71038606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).