(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide

C19H28N2O3 — CID 100760858

IUPAC(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
SMILESCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C#N)c1
InChIInChI=1S/C19H28N2O3/c1-5-8-11-19(4,24-7-3)18(22)21-16-9-10-17(23-12-6-2)15(13-16)14-20/h9-10,13H,5-8,11-12H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyTWPNJDZGOWEJLD-IBGZPJMESA-N
MW332.44 g/mol
LogP4.27
Rot. Bonds10

About (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide

(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide (PubChem CID 100760858) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
PubChem CID100760858
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
SMILESCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C#N)c1
InChIInChI=1S/C19H28N2O3/c1-5-8-11-19(4,24-7-3)18(22)21-16-9-10-17(23-12-6-2)15(13-16)14-20/h9-10,13H,5-8,11-12H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyTWPNJDZGOWEJLD-IBGZPJMESA-N
XLogP4.27
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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

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Related Compounds

(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
N-(3-cyano-4-propoxyphenyl)-2-methoxy-2-methylhexanamide
CID 133229817
(2R)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759539
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759542
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
[2-cyano-4-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]phenyl] acetate
CID 100766105
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760136
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide
CID 133229739
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
CID 133204118

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide?
The IUPAC name of (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide (CID 100760858) is (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide.
What is the SMILES notation for (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide?
The canonical SMILES for (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide is CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide?
The InChIKey is TWPNJDZGOWEJLD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-8-11-19(4,24-7-3)18(22)21-16-9-10-17(23-12-6-2)15(13-16)14-20/h9-10,13H,5-8,11-12H2,1-4H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide?
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide has a molecular weight of 332.44 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide is sourced from PubChem (CID 100760858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).