N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide

C22H37NO3 — CID 174314090

IUPACN,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide
SMILESCCC(C)(C)C(CC(C)(C)C)c1ccc(C(=O)N(CCO)CCO)cc1
InChIInChI=1S/C22H37NO3/c1-7-22(5,6)19(16-21(2,3)4)17-8-10-18(11-9-17)20(26)23(12-14-24)13-15-25/h8-11,19,24-25H,7,12-16H2,1-6H3
InChIKeyCPKQWUGDRMWLDS-UHFFFAOYSA-N
MW363.54 g/mol
LogP4.07
Rot. Bonds9

About N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide

N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide (PubChem CID 174314090) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide
PubChem CID174314090
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC NameN,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide
SMILESCCC(C)(C)C(CC(C)(C)C)c1ccc(C(=O)N(CCO)CCO)cc1
InChIInChI=1S/C22H37NO3/c1-7-22(5,6)19(16-21(2,3)4)17-8-10-18(11-9-17)20(26)23(12-14-24)13-15-25/h8-11,19,24-25H,7,12-16H2,1-6H3
InChIKeyCPKQWUGDRMWLDS-UHFFFAOYSA-N
XLogP4.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylbutan-2-yl)-N,N-bis(2-hydroxyethyl)benzamide;ethane;propanoyl fluoride
CID 176553155
1-methoxyethyl 4-(2,2,5,5-tetramethylheptan-4-yl)benzoate
CID 123886025
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
CID 60653738
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide
CID 126438407
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide
CID 78855550
4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135092744

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide (CID 174314090) is N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide is CCC(C)(C)C(CC(C)(C)C)c1ccc(C(=O)N(CCO)CCO)cc1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide?
The InChIKey is CPKQWUGDRMWLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-7-22(5,6)19(16-21(2,3)4)17-8-10-18(11-9-17)20(26)23(12-14-24)13-15-25/h8-11,19,24-25H,7,12-16H2,1-6H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide?
N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide has a molecular weight of 363.54 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide is sourced from PubChem (CID 174314090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).