N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide

C19H28N2O3 — CID 133229825

IUPACN-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
SMILESCCCCC(C)(OC)C(=O)Nc1ccc(OC(C)CC)cc1C#N
InChIInChI=1S/C19H28N2O3/c1-6-8-11-19(4,23-5)18(22)21-17-10-9-16(12-15(17)13-20)24-14(3)7-2/h9-10,12,14H,6-8,11H2,1-5H3,(H,21,22)
InChIKeyACNVXHKVAQROLA-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.27
Rot. Bonds9

About N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide

N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide (PubChem CID 133229825) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
PubChem CID133229825
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
SMILESCCCCC(C)(OC)C(=O)Nc1ccc(OC(C)CC)cc1C#N
InChIInChI=1S/C19H28N2O3/c1-6-8-11-19(4,23-5)18(22)21-17-10-9-16(12-15(17)13-20)24-14(3)7-2/h9-10,12,14H,6-8,11H2,1-5H3,(H,21,22)
InChIKeyACNVXHKVAQROLA-UHFFFAOYSA-N
XLogP4.27
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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]-2-methoxy-2-methylpropanamide
CID 100752326
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752319
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide
CID 100751182
N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230037
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 100765993
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
(2S)-N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylhexanamide
CID 100754949

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide?
The IUPAC name of N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide (CID 133229825) is N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide.
What is the SMILES notation for N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide?
The canonical SMILES for N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide is CCCCC(C)(OC)C(=O)Nc1ccc(OC(C)CC)cc1C#N.
What is the InChIKey of N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide?
The InChIKey is ACNVXHKVAQROLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-6-8-11-19(4,23-5)18(22)21-17-10-9-16(12-15(17)13-20)24-14(3)7-2/h9-10,12,14H,6-8,11H2,1-5H3,(H,21,22).
What are the key properties of N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide?
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide has a molecular weight of 332.44 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide is sourced from PubChem (CID 133229825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).