N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide

C15H18N4O — CID 78821946

IUPACN,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)N(CCC#N)CCC#N)c1
InChIInChI=1S/C15H18N4O/c1-13-5-2-6-14(11-13)18-12-15(20)19(9-3-7-16)10-4-8-17/h2,5-6,11,18H,3-4,9-10,12H2,1H3
InChIKeyJZAVBWAENMPZGZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.06
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide

N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide (PubChem CID 78821946) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide
PubChem CID78821946
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)N(CCC#N)CCC#N)c1
InChIInChI=1S/C15H18N4O/c1-13-5-2-6-14(11-13)18-12-15(20)19(9-3-7-16)10-4-8-17/h2,5-6,11,18H,3-4,9-10,12H2,1H3
InChIKeyJZAVBWAENMPZGZ-UHFFFAOYSA-N
XLogP2.06
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide
CID 78822153
2-(2-chloro-4-methylanilino)-N,N-bis(2-cyanoethyl)acetamide
CID 78821492
N,N-bis(2-cyanoethyl)-3-methylbenzamide
CID 2204619
N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
CID 71919291
1-(2-cyanoethyl)-1-cyclopropyl-3-(3-methylphenyl)urea
CID 54949101
N-[4-(cyanomethyl)phenyl]-2-(3-methylanilino)acetamide
CID 51202790
1-(2-cyanoethyl)-1-methyl-3-(3-methylphenyl)thiourea
CID 7942269
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
4,4-dimethyl-5-(3-methylanilino)pentanenitrile
CID 115671109
N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide
CID 78822833
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide (CID 78821946) is N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)N(CCC#N)CCC#N)c1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide?
The InChIKey is JZAVBWAENMPZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-13-5-2-6-14(11-13)18-12-15(20)19(9-3-7-16)10-4-8-17/h2,5-6,11,18H,3-4,9-10,12H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide?
N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide has a molecular weight of 270.34 g/mol, XLogP of 2.06, 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-methylanilino)acetamide is sourced from PubChem (CID 78821946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).