N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide

C16H22N2O2 — CID 100751182

IUPACN-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide
SMILESCC[C@H](C)Oc1ccc(NC(=O)C(C)(C)C)c(C#N)c1
InChIInChI=1S/C16H22N2O2/c1-6-11(2)20-13-7-8-14(12(9-13)10-17)18-15(19)16(3,4)5/h7-9,11H,6H2,1-5H3,(H,18,19)/t11-/m0/s1
InChIKeyFIFVZXOKCXAVHD-NSHDSACASA-N
MW274.36 g/mol
LogP3.72
Rot. Bonds4

About N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide

N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide (PubChem CID 100751182) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide
PubChem CID100751182
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide
SMILESCC[C@H](C)Oc1ccc(NC(=O)C(C)(C)C)c(C#N)c1
InChIInChI=1S/C16H22N2O2/c1-6-11(2)20-13-7-8-14(12(9-13)10-17)18-15(19)16(3,4)5/h7-9,11H,6H2,1-5H3,(H,18,19)/t11-/m0/s1
InChIKeyFIFVZXOKCXAVHD-NSHDSACASA-N
XLogP3.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752326
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752319
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
CID 133229825
N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230037
(2R)-N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-ethoxy-2-methylheptanamide
CID 100761428
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methyl-2-propoxyheptanamide
CID 133205403
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100762030
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744362
(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763555
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100763184
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide (CID 100751182) is N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide is CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)C)c(C#N)c1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide?
The InChIKey is FIFVZXOKCXAVHD-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-11(2)20-13-7-8-14(12(9-13)10-17)18-15(19)16(3,4)5/h7-9,11H,6H2,1-5H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide?
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 100751182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).