N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide

C14H14N4O — CID 67011238

IUPACN-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)NCC2CC2)cc1C#N
InChIInChI=1S/C14H14N4O/c15-6-11-3-4-13(5-12(11)7-16)17-9-14(19)18-8-10-1-2-10/h3-5,10,17H,1-2,8-9H2,(H,18,19)
InChIKeyXTIMEWQGLFPRMD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.37
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide

N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide (PubChem CID 67011238) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
PubChem CID67011238
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)NCC2CC2)cc1C#N
InChIInChI=1S/C14H14N4O/c15-6-11-3-4-13(5-12(11)7-16)17-9-14(19)18-8-10-1-2-10/h3-5,10,17H,1-2,8-9H2,(H,18,19)
InChIKeyXTIMEWQGLFPRMD-UHFFFAOYSA-N
XLogP1.37
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(3,4-dicyanoanilino)acetamide
CID 107789307
N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
CID 104918996
2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide
CID 133441782
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 115378318
2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 107789246
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
2-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-N-cyclopropylacetamide
CID 51088495
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 133441762

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide (CID 67011238) is N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide is N#Cc1ccc(NCC(=O)NCC2CC2)cc1C#N.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide?
The InChIKey is XTIMEWQGLFPRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-6-11-3-4-13(5-12(11)7-16)17-9-14(19)18-8-10-1-2-10/h3-5,10,17H,1-2,8-9H2,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide?
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide has a molecular weight of 254.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide is sourced from PubChem (CID 67011238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).