N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide

C16H20N4O — CID 78822153

IUPACN,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide
SMILESCc1cc(C)cc(NCC(=O)N(CCC#N)CCC#N)c1
InChIInChI=1S/C16H20N4O/c1-13-9-14(2)11-15(10-13)19-12-16(21)20(7-3-5-17)8-4-6-18/h9-11,19H,3-4,7-8,12H2,1-2H3
InChIKeyUZHXDLORGZRCKM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.37
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide

N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide (PubChem CID 78822153) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide
PubChem CID78822153
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide
SMILESCc1cc(C)cc(NCC(=O)N(CCC#N)CCC#N)c1
InChIInChI=1S/C16H20N4O/c1-13-9-14(2)11-15(10-13)19-12-16(21)20(7-3-5-17)8-4-6-18/h9-11,19H,3-4,7-8,12H2,1-2H3
InChIKeyUZHXDLORGZRCKM-UHFFFAOYSA-N
XLogP2.37
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide
CID 78821946
2-(2-chloro-4-methylanilino)-N,N-bis(2-cyanoethyl)acetamide
CID 78821492
2-(3,5-dimethylanilino)-N,N-diethylacetamide
CID 28582869
N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
CID 71919291
2-bromo-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 63679867
N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide
CID 78822833
1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(oxolan-2-ylmethyl)urea
CID 3305018
2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 2393435
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
methyl 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]amino]-2-phenylacetate
CID 122157295
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
N,N-bis(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 30422819

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide (CID 78822153) is N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide is Cc1cc(C)cc(NCC(=O)N(CCC#N)CCC#N)c1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide?
The InChIKey is UZHXDLORGZRCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-9-14(2)11-15(10-13)19-12-16(21)20(7-3-5-17)8-4-6-18/h9-11,19H,3-4,7-8,12H2,1-2H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide?
N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide is sourced from PubChem (CID 78822153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).