N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide

C16H26N2O2 — CID 82829732

IUPACN-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)11-18(10-9-17(4)5)16(20)14-7-6-8-15(19)13(14)3/h6-8,12,19H,9-11H2,1-5H3
InChIKeyIZRLMMSVKJSEDH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide

N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 82829732) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID82829732
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)11-18(10-9-17(4)5)16(20)14-7-6-8-15(19)13(14)3/h6-8,12,19H,9-11H2,1-5H3
InChIKeyIZRLMMSVKJSEDH-UHFFFAOYSA-N
XLogP2.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
CID 82829951
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478
3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
CID 61105794
N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105068956
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide (CID 82829732) is N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide is Cc1c(O)cccc1C(=O)N(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is IZRLMMSVKJSEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)11-18(10-9-17(4)5)16(20)14-7-6-8-15(19)13(14)3/h6-8,12,19H,9-11H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide?
N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 82829732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).