2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide

C15H21N3O2 — CID 104843738

IUPAC2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1ccc(C#N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-5-11(2)18-15(19)10-17-13-7-6-12(9-16)8-14(13)20-3/h6-8,11,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyPWSDWOMUEGHFFK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds7

About 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide

2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide (PubChem CID 104843738) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
PubChem CID104843738
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1ccc(C#N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-5-11(2)18-15(19)10-17-13-7-6-12(9-16)8-14(13)20-3/h6-8,11,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyPWSDWOMUEGHFFK-UHFFFAOYSA-N
XLogP2.28
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
CID 104848632
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
4-(4-cyano-2-methoxyanilino)pentanoic acid
CID 104848343
N-butyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848711
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylacetamide
CID 107797820
1-butyl-3-(4-cyano-2-methoxyphenyl)urea
CID 104844634
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
4-(heptylamino)-3-methoxybenzonitrile
CID 104848308
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide (CID 104843738) is 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNc1ccc(C#N)cc1OC.
What is the InChIKey of 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide?
The InChIKey is PWSDWOMUEGHFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-5-11(2)18-15(19)10-17-13-7-6-12(9-16)8-14(13)20-3/h6-8,11,17H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide?
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide has a molecular weight of 275.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 104843738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).