2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide

C14H19N3O — CID 47117865

IUPAC2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)7-8-16-14(18)10-17-13-5-3-12(9-15)4-6-13/h3-6,11,17H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyCQFIKMKGPZVFMR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds6

About 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide

2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide (PubChem CID 47117865) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
PubChem CID47117865
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)7-8-16-14(18)10-17-13-5-3-12(9-15)4-6-13/h3-6,11,17H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyCQFIKMKGPZVFMR-UHFFFAOYSA-N
XLogP2.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
tert-butyl 7-[[2-(4-cyanoanilino)acetyl]amino]heptanoate
CID 10760938
2-(5-chloro-2-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 64919197
N-carbamoyl-2-(4-cyanoanilino)acetamide
CID 26507718
2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
CID 126836517
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide (CID 47117865) is 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CNc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is CQFIKMKGPZVFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)7-8-16-14(18)10-17-13-5-3-12(9-15)4-6-13/h3-6,11,17H,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide?
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 245.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 47117865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).