2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride

C17H29ClN2O — CID 3026049

IUPAC2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCCCCN(CCCC)CC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-6-12-19(13-7-5-2)14-17(20)18-16-11-9-8-10-15(16)3;/h8-11H,4-7,12-14H2,1-3H3,(H,18,20);1H
InChIKeyLISARVCACOYRGJ-UHFFFAOYSA-N
MW312.88 g/mol
LogP4.26
Rot. Bonds9

About 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride

2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride (PubChem CID 3026049) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
PubChem CID3026049
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCCCCN(CCCC)CC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-6-12-19(13-7-5-2)14-17(20)18-16-11-9-8-10-15(16)3;/h8-11H,4-7,12-14H2,1-3H3,(H,18,20);1H
InChIKeyLISARVCACOYRGJ-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-N-(2-methylphenyl)acetamide
CID 60688995
2-[butyl(naphthalen-2-ylmethyl)amino]-N-(2-methylphenyl)acetamide
CID 156786205
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide
CID 60689127
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
N-ethyl-2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetamide
CID 9432874
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride (CID 3026049) is 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride is CCCCN(CCCC)CC(=O)Nc1ccccc1C.Cl.
What is the InChIKey of 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride?
The InChIKey is LISARVCACOYRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-4-6-12-19(13-7-5-2)14-17(20)18-16-11-9-8-10-15(16)3;/h8-11H,4-7,12-14H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride?
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 3026049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).