N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide

C18H24N2O3 — CID 133205494

IUPACN-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OCC)cc1C#N)C1CC1
InChIInChI=1S/C18H24N2O3/c1-4-10-23-18(3,14-6-7-14)17(21)20-16-9-8-15(22-5-2)11-13(16)12-19/h8-9,11,14H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyLBOGGDFPHSPUKW-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.49
Rot. Bonds8

About N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide

N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (PubChem CID 133205494) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
PubChem CID133205494
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OCC)cc1C#N)C1CC1
InChIInChI=1S/C18H24N2O3/c1-4-10-23-18(3,14-6-7-14)17(21)20-16-9-8-15(22-5-2)11-13(16)12-19/h8-9,11,14H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyLBOGGDFPHSPUKW-UHFFFAOYSA-N
XLogP3.49
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-[(2-cyclopropyl-2-propoxypropanoyl)amino]phenyl] acetate
CID 133205500
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100763601
[3-cyano-4-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]phenyl] acetate
CID 100763613
(2R)-N-(2-cyano-4-propan-2-yloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763555
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 133229957
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
[2-cyano-4-[[(2R)-2-cyclopropyl-2-propoxypropanoyl]amino]phenyl] acetate
CID 100769018

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The IUPAC name of N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (CID 133205494) is N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.
What is the SMILES notation for N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The canonical SMILES for N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is CCCOC(C)(C(=O)Nc1ccc(OCC)cc1C#N)C1CC1.
What is the InChIKey of N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The InChIKey is LBOGGDFPHSPUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-10-23-18(3,14-6-7-14)17(21)20-16-9-8-15(22-5-2)11-13(16)12-19/h8-9,11,14H,4-7,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide has a molecular weight of 316.40 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is sourced from PubChem (CID 133205494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).