2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide

C14H15N5O2 — CID 107789245

IUPAC2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H15N5O2/c1-3-17-14(21)19-13(20)9(2)18-12-5-4-10(7-15)11(6-12)8-16/h4-6,9,18H,3H2,1-2H3,(H2,17,19,20,21)
InChIKeyTZHPLDZSVMPKLI-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.08
Rot. Bonds4

About 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide

2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 107789245) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID107789245
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H15N5O2/c1-3-17-14(21)19-13(20)9(2)18-12-5-4-10(7-15)11(6-12)8-16/h4-6,9,18H,3H2,1-2H3,(H2,17,19,20,21)
InChIKeyTZHPLDZSVMPKLI-UHFFFAOYSA-N
XLogP1.08
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
CID 107789169
2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107789327
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085
(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
CID 94818789

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide (CID 107789245) is 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is TZHPLDZSVMPKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-3-17-14(21)19-13(20)9(2)18-12-5-4-10(7-15)11(6-12)8-16/h4-6,9,18H,3H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide?
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 285.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 107789245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).