N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide

C16H27N3O — CID 61377482

IUPACN-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
SMILESCNc1ccccc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H27N3O/c1-13(2)12-19(11-10-18(4)5)16(20)14-8-6-7-9-15(14)17-3/h6-9,13,17H,10-12H2,1-5H3
InChIKeyHIHHBUDQTMBQFC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.39
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide

N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide (PubChem CID 61377482) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
PubChem CID61377482
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
SMILESCNc1ccccc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H27N3O/c1-13(2)12-19(11-10-18(4)5)16(20)14-8-6-7-9-15(14)17-3/h6-9,13,17H,10-12H2,1-5H3
InChIKeyHIHHBUDQTMBQFC-UHFFFAOYSA-N
XLogP2.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105068956
N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82829732
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
N-ethyl-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 79469822
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 107481586
N-butyl-N-ethyl-2-(methylamino)benzamide
CID 61377458
N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 104552913
2-hydrazinyl-N,N-bis(3-methylbutyl)benzamide
CID 107871087
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478
N-ethyl-5-methyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509677
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62179231

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide (CID 61377482) is N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide is CNc1ccccc1C(=O)N(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is HIHHBUDQTMBQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)12-19(11-10-18(4)5)16(20)14-8-6-7-9-15(14)17-3/h6-9,13,17H,10-12H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide?
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61377482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).