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

C20H28N2O3 — CID 133205492

IUPACN-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OCC(C)C)c(C#N)c1)C1CC1
InChIInChI=1S/C20H28N2O3/c1-5-10-25-20(4,16-6-7-16)19(23)22-17-8-9-18(15(11-17)12-21)24-13-14(2)3/h8-9,11,14,16H,5-7,10,13H2,1-4H3,(H,22,23)
InChIKeyQBDHECDUSXSNQU-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.13
Rot. Bonds9

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

N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide (PubChem CID 133205492) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
PubChem CID133205492
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OCC(C)C)c(C#N)c1)C1CC1
InChIInChI=1S/C20H28N2O3/c1-5-10-25-20(4,16-6-7-16)19(23)22-17-8-9-18(15(11-17)12-21)24-13-14(2)3/h8-9,11,14,16H,5-7,10,13H2,1-4H3,(H,22,23)
InChIKeyQBDHECDUSXSNQU-UHFFFAOYSA-N
XLogP4.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.13
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
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100758108
[2-cyano-4-[[(2R)-2-cyclopropyl-2-propoxypropanoyl]amino]phenyl] acetate
CID 100769018
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
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
(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-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
CID 100751118
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide?
The IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide (CID 133205492) is N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide.
What is the SMILES notation for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide?
The canonical SMILES for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide is CCCOC(C)(C(=O)Nc1ccc(OCC(C)C)c(C#N)c1)C1CC1.
What is the InChIKey of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide?
The InChIKey is QBDHECDUSXSNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-10-25-20(4,16-6-7-16)19(23)22-17-8-9-18(15(11-17)12-21)24-13-14(2)3/h8-9,11,14,16H,5-7,10,13H2,1-4H3,(H,22,23).
What are the key properties of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide?
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide has a molecular weight of 344.46 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide is sourced from PubChem (CID 133205492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).