2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide

C16H19N3O — CID 29458027

IUPAC2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide
SMILESN#Cc1cccc(NCC(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H19N3O/c17-9-11-2-1-3-14(8-11)18-10-15(20)19-16(12-4-5-12)13-6-7-13/h1-3,8,12-13,16,18H,4-7,10H2,(H,19,20)
InChIKeyDABQUCQMNJTQIX-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.27
Rot. Bonds6

About 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide

2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide (PubChem CID 29458027) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide
PubChem CID29458027
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide
SMILESN#Cc1cccc(NCC(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H19N3O/c17-9-11-2-1-3-14(8-11)18-10-15(20)19-16(12-4-5-12)13-6-7-13/h1-3,8,12-13,16,18H,4-7,10H2,(H,19,20)
InChIKeyDABQUCQMNJTQIX-UHFFFAOYSA-N
XLogP2.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 102822318
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
3-[[2-(4-methylphenyl)-2-oxoethyl]amino]benzonitrile
CID 82119294
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
CID 26438582
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 32996968
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide (CID 29458027) is 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide is N#Cc1cccc(NCC(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide?
The InChIKey is DABQUCQMNJTQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-9-11-2-1-3-14(8-11)18-10-15(20)19-16(12-4-5-12)13-6-7-13/h1-3,8,12-13,16,18H,4-7,10H2,(H,19,20).
What are the key properties of 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide?
2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 29458027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).