(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide

C19H26N2O3 — CID 100763601

IUPAC(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
SMILESCCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)cc1C#N)C1CC1
InChIInChI=1S/C19H26N2O3/c1-5-24-19(4,15-6-7-15)18(22)21-17-9-8-16(10-14(17)11-20)23-12-13(2)3/h8-10,13,15H,5-7,12H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyPLZOBEQCGAEAHG-LJQANCHMSA-N
MW330.43 g/mol
LogP3.74
Rot. Bonds8

About (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide

(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide (PubChem CID 100763601) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
PubChem CID100763601
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
SMILESCCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)cc1C#N)C1CC1
InChIInChI=1S/C19H26N2O3/c1-5-24-19(4,15-6-7-15)18(22)21-17-9-8-16(10-14(17)11-20)23-12-13(2)3/h8-10,13,15H,5-7,12H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyPLZOBEQCGAEAHG-LJQANCHMSA-N
XLogP3.74
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 133229957
(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763555
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
[3-cyano-4-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]phenyl] acetate
CID 100763613
N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205494
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
[3-cyano-4-[(2-cyclopropyl-2-propoxypropanoyl)amino]phenyl] acetate
CID 133205500
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100754614
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide?
The IUPAC name of (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide (CID 100763601) is (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide.
What is the SMILES notation for (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide?
The canonical SMILES for (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide is CCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)cc1C#N)C1CC1.
What is the InChIKey of (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide?
The InChIKey is PLZOBEQCGAEAHG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-24-19(4,15-6-7-15)18(22)21-17-9-8-16(10-14(17)11-20)23-12-13(2)3/h8-10,13,15H,5-7,12H2,1-4H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide?
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide has a molecular weight of 330.43 g/mol, XLogP of 3.74, 8 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-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide is sourced from PubChem (CID 100763601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).