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

C16H23N3O2 — CID 104848632

IUPAC2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C16H23N3O2/c1-5-6-11(2)18-16(20)12(3)19-14-8-7-13(10-17)9-15(14)21-4/h7-9,11-12,19H,5-6H2,1-4H3,(H,18,20)
InChIKeyKAQSQRSFVXMTJA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.67
Rot. Bonds7

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

2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide (PubChem CID 104848632) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
PubChem CID104848632
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C16H23N3O2/c1-5-6-11(2)18-16(20)12(3)19-14-8-7-13(10-17)9-15(14)21-4/h7-9,11-12,19H,5-6H2,1-4H3,(H,18,20)
InChIKeyKAQSQRSFVXMTJA-UHFFFAOYSA-N
XLogP2.67
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848711
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
CID 104843738
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848768
4-(4-cyano-2-methoxyanilino)pentanoic acid
CID 104848343
2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
CID 107663138
3-methoxy-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 104848648
2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 103792142
1-butyl-3-(4-cyano-2-methoxyphenyl)urea
CID 104844634
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylpropanamide
CID 107798096

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide (CID 104848632) is 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Nc1ccc(C#N)cc1OC.
What is the InChIKey of 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide?
The InChIKey is KAQSQRSFVXMTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-6-11(2)18-16(20)12(3)19-14-8-7-13(10-17)9-15(14)21-4/h7-9,11-12,19H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide?
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.67, 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-ylpropanamide is sourced from PubChem (CID 104848632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).