N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide

C17H22N2O3 — CID 133205487

IUPACN-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OC)c(C#N)c1)C1CC1
InChIInChI=1S/C17H22N2O3/c1-4-9-22-17(2,13-5-6-13)16(20)19-14-7-8-15(21-3)12(10-14)11-18/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyFCQVJQDUAOUWOB-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.10
Rot. Bonds7

About N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide

N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (PubChem CID 133205487) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
PubChem CID133205487
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OC)c(C#N)c1)C1CC1
InChIInChI=1S/C17H22N2O3/c1-4-9-22-17(2,13-5-6-13)16(20)19-14-7-8-15(21-3)12(10-14)11-18/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyFCQVJQDUAOUWOB-UHFFFAOYSA-N
XLogP3.10
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
[2-cyano-4-[[(2R)-2-cyclopropyl-2-propoxypropanoyl]amino]phenyl] acetate
CID 100769018
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-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760136
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100758108
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The IUPAC name of N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (CID 133205487) is N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.
What is the SMILES notation for N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The canonical SMILES for N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is CCCOC(C)(C(=O)Nc1ccc(OC)c(C#N)c1)C1CC1.
What is the InChIKey of N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The InChIKey is FCQVJQDUAOUWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-9-22-17(2,13-5-6-13)16(20)19-14-7-8-15(21-3)12(10-14)11-18/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide has a molecular weight of 302.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is sourced from PubChem (CID 133205487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).