N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide

C21H24N4O2 — CID 9038792

IUPACN-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C21H24N4O2/c1-3-11-25(15-21(27)24-19-10-5-4-7-16(19)2)14-20(26)23-18-9-6-8-17(12-18)13-22/h4-10,12H,3,11,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCWZGTLVJZNWLBK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds8

About N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide

N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 9038792) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
PubChem CID9038792
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C21H24N4O2/c1-3-11-25(15-21(27)24-19-10-5-4-7-16(19)2)14-20(26)23-18-9-6-8-17(12-18)13-22/h4-10,12H,3,11,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCWZGTLVJZNWLBK-UHFFFAOYSA-N
XLogP3.16
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide
CID 8796170
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78787950
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide (CID 9038792) is N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccccc1C.
What is the InChIKey of N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is CWZGTLVJZNWLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-11-25(15-21(27)24-19-10-5-4-7-16(19)2)14-20(26)23-18-9-6-8-17(12-18)13-22/h4-10,12H,3,11,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 9038792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).