N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide

C14H19N3O2 — CID 104848764

IUPACN-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
SMILESCOc1cc(C#N)ccc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-14(2,3)17-13(18)9-16-11-6-5-10(8-15)7-12(11)19-4/h5-7,16H,9H2,1-4H3,(H,17,18)
InChIKeyAHQCEGZRQKWGFB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.89
Rot. Bonds4

About N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide

N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide (PubChem CID 104848764) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
PubChem CID104848764
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
SMILESCOc1cc(C#N)ccc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-14(2,3)17-13(18)9-16-11-6-5-10(8-15)7-12(11)19-4/h5-7,16H,9H2,1-4H3,(H,17,18)
InChIKeyAHQCEGZRQKWGFB-UHFFFAOYSA-N
XLogP1.89
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
CID 104843738
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
5-(4-cyano-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 104833873
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
4-(4-hydroxybutylamino)-3-methoxybenzonitrile
CID 104848657
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 47475196
(E)-4-(4-cyano-2-methoxyanilino)but-2-enoic acid
CID 103266402
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-methoxybenzonitrile
CID 104848351
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide (CID 104848764) is N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide is COc1cc(C#N)ccc1NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide?
The InChIKey is AHQCEGZRQKWGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)17-13(18)9-16-11-6-5-10(8-15)7-12(11)19-4/h5-7,16H,9H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide?
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide is sourced from PubChem (CID 104848764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).