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

C18H24N2O3 — CID 133229957

IUPACN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
SMILESCOC(C)(C(=O)Nc1ccc(OCC(C)C)cc1C#N)C1CC1
InChIInChI=1S/C18H24N2O3/c1-12(2)11-23-15-7-8-16(13(9-15)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)
InChIKeyCCDFAOWKFPOIDB-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.35
Rot. Bonds7

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

N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide (PubChem CID 133229957) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
PubChem CID133229957
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
SMILESCOC(C)(C(=O)Nc1ccc(OCC(C)C)cc1C#N)C1CC1
InChIInChI=1S/C18H24N2O3/c1-12(2)11-23-15-7-8-16(13(9-15)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)
InChIKeyCCDFAOWKFPOIDB-UHFFFAOYSA-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

(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100763601
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100754614
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100758108
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763555
N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205494
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
[3-cyano-4-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]phenyl] acetate
CID 100763613
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
[3-cyano-4-[(2-cyclopropyl-2-propoxypropanoyl)amino]phenyl] acetate
CID 133205500

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The IUPAC name of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide (CID 133229957) is N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide.
What is the SMILES notation for N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The canonical SMILES for N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide is COC(C)(C(=O)Nc1ccc(OCC(C)C)cc1C#N)C1CC1.
What is the InChIKey of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The InChIKey is CCDFAOWKFPOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)11-23-15-7-8-16(13(9-15)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).
What are the key properties of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
N-[2-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 N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide is sourced from PubChem (CID 133229957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).