N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride

C18H31Cl2N3O — CID 138396786

IUPACN-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
SMILESCCN(CC)CCN(CC(=O)Nc1c(C)cccc1Cl)C(C)C.Cl
InChIInChI=1S/C18H30ClN3O.ClH/c1-6-21(7-2)11-12-22(14(3)4)13-17(23)20-18-15(5)9-8-10-16(18)19;/h8-10,14H,6-7,11-13H2,1-5H3,(H,20,23);1H
InChIKeyACICUOKESZVAFL-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.06
Rot. Bonds9

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

N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride (PubChem CID 138396786) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
PubChem CID138396786
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
SMILESCCN(CC)CCN(CC(=O)Nc1c(C)cccc1Cl)C(C)C.Cl
InChIInChI=1S/C18H30ClN3O.ClH/c1-6-21(7-2)11-12-22(14(3)4)13-17(23)20-18-15(5)9-8-10-16(18)19;/h8-10,14H,6-7,11-13H2,1-5H3,(H,20,23);1H
InChIKeyACICUOKESZVAFL-UHFFFAOYSA-N
XLogP4.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
CID 131864899
1,3-bis(2-chloro-6-methylphenyl)-1-[2-(diethylamino)ethyl]urea;hydrochloride
CID 3060892
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
CID 21153854
CID 89442401
CID 89442401
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 40760037
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 66251389
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride (CID 138396786) is N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride is CCN(CC)CCN(CC(=O)Nc1c(C)cccc1Cl)C(C)C.Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride?
The InChIKey is ACICUOKESZVAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN3O.ClH/c1-6-21(7-2)11-12-22(14(3)4)13-17(23)20-18-15(5)9-8-10-16(18)19;/h8-10,14H,6-7,11-13H2,1-5H3,(H,20,23);1H.
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride?
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride has a molecular weight of 376.37 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride is sourced from PubChem (CID 138396786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).