N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

C22H34N2O3 — CID 100754614

IUPACN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N
InChIInChI=1S/C22H34N2O3/c1-15(2)11-22(26-7,12-16(3)4)21(25)24-20-9-8-19(10-18(20)13-23)27-14-17(5)6/h8-10,15-17H,11-12,14H2,1-7H3,(H,24,25)
InChIKeyFJKHCDXWYISRSV-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.01
Rot. Bonds10

About N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (PubChem CID 100754614) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
PubChem CID100754614
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N
InChIInChI=1S/C22H34N2O3/c1-15(2)11-22(26-7,12-16(3)4)21(25)24-20-9-8-19(10-18(20)13-23)27-14-17(5)6/h8-10,15-17H,11-12,14H2,1-7H3,(H,24,25)
InChIKeyFJKHCDXWYISRSV-UHFFFAOYSA-N
XLogP5.01
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-cyano-4-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]phenyl] acetate
CID 100754622
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 133229957
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100763601
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
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
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (CID 100754614) is N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N.
What is the InChIKey of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The InChIKey is FJKHCDXWYISRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-15(2)11-22(26-7,12-16(3)4)21(25)24-20-9-8-19(10-18(20)13-23)27-14-17(5)6/h8-10,15-17H,11-12,14H2,1-7H3,(H,24,25).
What are the key properties of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide has a molecular weight of 374.53 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100754614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).