N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide

C16H26N2O2 — CID 106147962

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCC(C)(C)CCO
InChIInChI=1S/C16H26N2O2/c1-16(2,9-11-19)12-18-15(20)14-7-5-4-6-13(14)8-10-17-3/h4-7,17,19H,8-12H2,1-3H3,(H,18,20)
InChIKeyNTBHYJRBJCCXKL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.59
Rot. Bonds8

About N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide (PubChem CID 106147962) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide
PubChem CID106147962
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCC(C)(C)CCO
InChIInChI=1S/C16H26N2O2/c1-16(2,9-11-19)12-18-15(20)14-7-5-4-6-13(14)8-10-17-3/h4-7,17,19H,8-12H2,1-3H3,(H,18,20)
InChIKeyNTBHYJRBJCCXKL-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide
CID 103772553
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547692
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
N-(2-hydroxyethyl)-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 113425674

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide (CID 106147962) is N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)NCC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is NTBHYJRBJCCXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,9-11-19)12-18-15(20)14-7-5-4-6-13(14)8-10-17-3/h4-7,17,19H,8-12H2,1-3H3,(H,18,20).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 278.40 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 106147962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).