(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide

C16H22N2O3 — CID 100760136

IUPAC(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
SMILESCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C#N)c1
InChIInChI=1S/C16H22N2O3/c1-5-9-16(3,21-6-2)15(19)18-13-7-8-14(20-4)12(10-13)11-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)/t16-/m0/s1
InChIKeyVZLBKDGAUJBFFV-INIZCTEOSA-N
MW290.36 g/mol
LogP3.10
Rot. Bonds7

About (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide

(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide (PubChem CID 100760136) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
PubChem CID100760136
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
SMILESCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C#N)c1
InChIInChI=1S/C16H22N2O3/c1-5-9-16(3,21-6-2)15(19)18-13-7-8-14(20-4)12(10-13)11-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)/t16-/m0/s1
InChIKeyVZLBKDGAUJBFFV-INIZCTEOSA-N
XLogP3.10
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759496
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 100759967
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
CID 133204118
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
(2S)-N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760195
N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 133230069
N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230029

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide?
The IUPAC name of (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide (CID 100760136) is (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide.
What is the SMILES notation for (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide?
The canonical SMILES for (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide is CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide?
The InChIKey is VZLBKDGAUJBFFV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-9-16(3,21-6-2)15(19)18-13-7-8-14(20-4)12(10-13)11-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide?
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide has a molecular weight of 290.36 g/mol, XLogP of 3.10, 7 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-methoxyphenyl)-2-ethoxy-2-methylpentanamide is sourced from PubChem (CID 100760136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).