(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide

C18H24N2O3 — CID 100763555

IUPAC(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
SMILESCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)cc1C#N)C1CC1
InChIInChI=1S/C18H24N2O3/c1-5-22-18(4,14-6-7-14)17(21)20-16-9-8-15(23-12(2)3)10-13(16)11-19/h8-10,12,14H,5-7H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyNKZCIWQKVFGYFK-GOSISDBHSA-N
MW316.40 g/mol
LogP3.49
Rot. Bonds7

About (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide

(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide (PubChem CID 100763555) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
PubChem CID100763555
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
SMILESCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)cc1C#N)C1CC1
InChIInChI=1S/C18H24N2O3/c1-5-22-18(4,14-6-7-14)17(21)20-16-9-8-15(23-12(2)3)10-13(16)11-19/h8-10,12,14H,5-7H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyNKZCIWQKVFGYFK-GOSISDBHSA-N
XLogP3.49
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-cyano-4-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]phenyl] acetate
CID 100763613
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100763601
N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205494
[3-cyano-4-[(2-cyclopropyl-2-propoxypropanoyl)amino]phenyl] acetate
CID 133205500
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 133229957
N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230037
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
(2R)-N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-ethoxy-2-methylheptanamide
CID 100761428
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide
CID 100751182
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
(2S)-N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760195

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The IUPAC name of (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide (CID 100763555) is (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide.
What is the SMILES notation for (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The canonical SMILES for (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide is CCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)cc1C#N)C1CC1.
What is the InChIKey of (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The InChIKey is NKZCIWQKVFGYFK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-22-18(4,14-6-7-14)17(21)20-16-9-8-15(23-12(2)3)10-13(16)11-19/h8-10,12,14H,5-7H2,1-4H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide has a molecular weight of 316.40 g/mol, XLogP of 3.49, 7 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-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide is sourced from PubChem (CID 100763555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).