N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide

C18H19N3O — CID 32899277

IUPACN-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CNc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O/c1-2-21(14-15-7-4-3-5-8-15)18(22)13-20-17-10-6-9-16(11-17)12-19/h3-11,20H,2,13-14H2,1H3
InChIKeyCFFPPPIXONVPPP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.02
Rot. Bonds6

About N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide

N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide (PubChem CID 32899277) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
PubChem CID32899277
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CNc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O/c1-2-21(14-15-7-4-3-5-8-15)18(22)13-20-17-10-6-9-16(11-17)12-19/h3-11,20H,2,13-14H2,1H3
InChIKeyCFFPPPIXONVPPP-UHFFFAOYSA-N
XLogP3.02
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 108999033
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
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N,N-diethyl-2-(3-ethynylanilino)acetamide
CID 28564060
N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide
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2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea
CID 75444536
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832457
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
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2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide (CID 32899277) is N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CNc1cccc(C#N)c1.
What is the InChIKey of N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide?
The InChIKey is CFFPPPIXONVPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-21(14-15-7-4-3-5-8-15)18(22)13-20-17-10-6-9-16(11-17)12-19/h3-11,20H,2,13-14H2,1H3.
What are the key properties of N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide?
N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide has a molecular weight of 293.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide is sourced from PubChem (CID 32899277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).