N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide

C18H26N2O3 — CID 133205355

IUPACN-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
SMILESCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C#N)c1
InChIInChI=1S/C18H26N2O3/c1-5-7-10-18(3,23-11-6-2)17(21)20-15-8-9-16(22-4)14(12-15)13-19/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,21)
InChIKeyXTSDPFFDDOUWHK-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.88
Rot. Bonds9

About N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide

N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide (PubChem CID 133205355) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide.

Molecular Properties

Compound NameN-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
PubChem CID133205355
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
SMILESCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C#N)c1
InChIInChI=1S/C18H26N2O3/c1-5-7-10-18(3,23-11-6-2)17(21)20-15-8-9-16(22-4)14(12-15)13-19/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,21)
InChIKeyXTSDPFFDDOUWHK-UHFFFAOYSA-N
XLogP3.88
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393
[2-cyano-4-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]phenyl] acetate
CID 100766105
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760136
N-(3-cyano-4-propoxyphenyl)-2-methoxy-2-methylhexanamide
CID 133229817
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
methyl 2-methoxy-5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]benzoate
CID 100765762
[2-cyano-4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenyl] acetate
CID 100764380
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
CID 133204118

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide?
The IUPAC name of N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide (CID 133205355) is N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide.
What is the SMILES notation for N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide?
The canonical SMILES for N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide is CCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide?
The InChIKey is XTSDPFFDDOUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-7-10-18(3,23-11-6-2)17(21)20-15-8-9-16(22-4)14(12-15)13-19/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,21).
What are the key properties of N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide?
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide has a molecular weight of 318.42 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide is sourced from PubChem (CID 133205355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).