N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide

C16H17N5O — CID 71919291

IUPACN,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
SMILESCc1ccc(C#N)cc1NCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C16H17N5O/c1-13-4-5-14(11-19)10-15(13)20-12-16(22)21(8-2-6-17)9-3-7-18/h4-5,10,20H,2-3,8-9,12H2,1H3
InChIKeyWBGBGDBREHXTSI-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.93
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide

N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide (PubChem CID 71919291) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
PubChem CID71919291
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
SMILESCc1ccc(C#N)cc1NCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C16H17N5O/c1-13-4-5-14(11-19)10-15(13)20-12-16(22)21(8-2-6-17)9-3-7-18/h4-5,10,20H,2-3,8-9,12H2,1H3
InChIKeyWBGBGDBREHXTSI-UHFFFAOYSA-N
XLogP1.93
TPSA103.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-methylanilino)-N,N-bis(2-cyanoethyl)acetamide
CID 78821492
2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
CID 60929299
2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546
N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide
CID 78822153
ethyl 2-[(5-cyano-2-methylanilino)methyl]prop-2-enoate
CID 103248505
N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide
CID 78821946
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 47475196
4-methyl-3-(2-methylidenebutylamino)benzonitrile
CID 66044026
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
3-(ethylamino)-4-methylbenzonitrile
CID 62105760
3-(5-cyano-2-methylphenyl)-1,1-diethylurea
CID 78983855
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide (CID 71919291) is N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide is Cc1ccc(C#N)cc1NCC(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide?
The InChIKey is WBGBGDBREHXTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-13-4-5-14(11-19)10-15(13)20-12-16(22)21(8-2-6-17)9-3-7-18/h4-5,10,20H,2-3,8-9,12H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide?
N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide is sourced from PubChem (CID 71919291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).