2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide

C14H18N2O2 — CID 47416651

IUPAC2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C#N)cc1C
InChIInChI=1S/C14H18N2O2/c1-5-18-12-7-6-11(8-10(12)2)16-13(17)14(3,4)9-15/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyMTIARANDQBMZBX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.88
Rot. Bonds4

About 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide

2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide (PubChem CID 47416651) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
PubChem CID47416651
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C#N)cc1C
InChIInChI=1S/C14H18N2O2/c1-5-18-12-7-6-11(8-10(12)2)16-13(17)14(3,4)9-15/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyMTIARANDQBMZBX-UHFFFAOYSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
CID 115188126
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 86954121
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476
(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
CID 86950140
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 86880687
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide (CID 47416651) is 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide is CCOc1ccc(NC(=O)C(C)(C)C#N)cc1C.
What is the InChIKey of 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide?
The InChIKey is MTIARANDQBMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-18-12-7-6-11(8-10(12)2)16-13(17)14(3,4)9-15/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide?
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 47416651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).