(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide

C18H24N2O3 — CID 100758108

IUPAC(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
SMILESCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C#N)c1)C1CC1
InChIInChI=1S/C18H24N2O3/c1-12(2)11-23-16-8-7-15(9-13(16)10-19)20-17(21)18(3,22-4)14-5-6-14/h7-9,12,14H,5-6,11H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyXPYLWYOLLXYDEY-GOSISDBHSA-N
MW316.40 g/mol
LogP3.35
Rot. Bonds7

About (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide

(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide (PubChem CID 100758108) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
PubChem CID100758108
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
SMILESCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C#N)c1)C1CC1
InChIInChI=1S/C18H24N2O3/c1-12(2)11-23-16-8-7-15(9-13(16)10-19)20-17(21)18(3,22-4)14-5-6-14/h7-9,12,14H,5-6,11H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyXPYLWYOLLXYDEY-GOSISDBHSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
CID 100751118
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 133229957
N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133229857
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
[2-cyano-4-[[(2R)-2-cyclopropyl-2-propoxypropanoyl]amino]phenyl] acetate
CID 100769018
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
CID 133204118
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764728
(2S)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764723

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The IUPAC name of (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide (CID 100758108) is (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide is CO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C#N)c1)C1CC1.
What is the InChIKey of (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The InChIKey is XPYLWYOLLXYDEY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)11-23-16-8-7-15(9-13(16)10-19)20-17(21)18(3,22-4)14-5-6-14/h7-9,12,14H,5-6,11H2,1-4H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide has a molecular weight of 316.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide is sourced from PubChem (CID 100758108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).