2-anilino-N-benzyl-N-propylacetamide;hydrochloride

C18H23ClN2O — CID 119681623

IUPAC2-anilino-N-benzyl-N-propylacetamide;hydrochloride
SMILESCCCN(Cc1ccccc1)C(=O)CNc1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-2-13-20(15-16-9-5-3-6-10-16)18(21)14-19-17-11-7-4-8-12-17;/h3-12,19H,2,13-15H2,1H3;1H
InChIKeyVWRDPICMNZCRKU-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.96
Rot. Bonds7

About 2-anilino-N-benzyl-N-propylacetamide;hydrochloride

2-anilino-N-benzyl-N-propylacetamide;hydrochloride (PubChem CID 119681623) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-anilino-N-benzyl-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-benzyl-N-propylacetamide;hydrochloride
PubChem CID119681623
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name2-anilino-N-benzyl-N-propylacetamide;hydrochloride
SMILESCCCN(Cc1ccccc1)C(=O)CNc1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-2-13-20(15-16-9-5-3-6-10-16)18(21)14-19-17-11-7-4-8-12-17;/h3-12,19H,2,13-15H2,1H3;1H
InChIKeyVWRDPICMNZCRKU-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
2-anilino-N-ethyl-N-(2-phenylethyl)acetamide
CID 60946372
N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
CID 78915073
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-benzyl-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119681638
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N-[2-[benzyl(propyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51186348
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propylacetamide
CID 30586947
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-benzyl-N-propylacetamide;hydrochloride?
The IUPAC name of 2-anilino-N-benzyl-N-propylacetamide;hydrochloride (CID 119681623) is 2-anilino-N-benzyl-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-benzyl-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-benzyl-N-propylacetamide;hydrochloride is CCCN(Cc1ccccc1)C(=O)CNc1ccccc1.Cl.
What is the InChIKey of 2-anilino-N-benzyl-N-propylacetamide;hydrochloride?
The InChIKey is VWRDPICMNZCRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-2-13-20(15-16-9-5-3-6-10-16)18(21)14-19-17-11-7-4-8-12-17;/h3-12,19H,2,13-15H2,1H3;1H.
What are the key properties of 2-anilino-N-benzyl-N-propylacetamide;hydrochloride?
2-anilino-N-benzyl-N-propylacetamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-benzyl-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119681623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).