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

C18H26N2O3 — CID 100765993

IUPAC(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
SMILESCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)cc1C#N
InChIInChI=1S/C18H26N2O3/c1-5-7-10-18(3,23-11-6-2)17(21)20-16-9-8-15(22-4)12-14(16)13-19/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyBRRFDNURAMAPKQ-GOSISDBHSA-N
MW318.42 g/mol
LogP3.88
Rot. Bonds9

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

(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide (PubChem CID 100765993) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
PubChem CID100765993
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
SMILESCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)cc1C#N
InChIInChI=1S/C18H26N2O3/c1-5-7-10-18(3,23-11-6-2)17(21)20-16-9-8-15(22-4)12-14(16)13-19/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyBRRFDNURAMAPKQ-GOSISDBHSA-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

(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide
CID 100765089
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
(2S)-N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760195
N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 133230069
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methyl-2-propoxyheptanamide
CID 133205403
[3-cyano-4-[[(2S)-2-methyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100765356
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
CID 133229825
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide?
The IUPAC name of (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide (CID 100765993) is (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide.
What is the SMILES notation for (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide?
The canonical SMILES for (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide is CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)cc1C#N.
What is the InChIKey of (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide?
The InChIKey is BRRFDNURAMAPKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-7-10-18(3,23-11-6-2)17(21)20-16-9-8-15(22-4)12-14(16)13-19/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide?
(2R)-N-(2-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 (2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide is sourced from PubChem (CID 100765993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).