2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride

C19H33Cl2N3O — CID 138396783

IUPAC2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
SMILESCCCCN(CCN(CC)CC)CC(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C19H32ClN3O.ClH/c1-5-8-12-23(14-13-22(6-2)7-3)15-18(24)21-19-16(4)10-9-11-17(19)20;/h9-11H,5-8,12-15H2,1-4H3,(H,21,24);1H
InChIKeyHBPOLOPOSNDZMN-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.45
Rot. Bonds11

About 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride

2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride (PubChem CID 138396783) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
PubChem CID138396783
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
SMILESCCCCN(CCN(CC)CC)CC(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C19H32ClN3O.ClH/c1-5-8-12-23(14-13-22(6-2)7-3)15-18(24)21-19-16(4)10-9-11-17(19)20;/h9-11H,5-8,12-15H2,1-4H3,(H,21,24);1H
InChIKeyHBPOLOPOSNDZMN-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
CID 138396786
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
CID 21153854
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
CID 131864899
N-butyl-N-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-2,3,4,5,6-pentafluorobenzamide
CID 607089
1,3-bis(2-chloro-6-methylphenyl)-1-[2-(diethylamino)ethyl]urea;hydrochloride
CID 3060892
CID 89442401
CID 89442401
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride (CID 138396783) is 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride is CCCCN(CCN(CC)CC)CC(=O)Nc1c(C)cccc1Cl.Cl.
What is the InChIKey of 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride?
The InChIKey is HBPOLOPOSNDZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN3O.ClH/c1-5-8-12-23(14-13-22(6-2)7-3)15-18(24)21-19-16(4)10-9-11-17(19)20;/h9-11H,5-8,12-15H2,1-4H3,(H,21,24);1H.
What are the key properties of 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride?
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride has a molecular weight of 390.40 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 138396783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).