N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide

C17H22N2O3 — CID 133203996

IUPACN-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
SMILESCCOc1ccc(NC(=O)C(C)(OCC)C2CC2)cc1C#N
InChIInChI=1S/C17H22N2O3/c1-4-21-15-9-8-14(10-12(15)11-18)19-16(20)17(3,22-5-2)13-6-7-13/h8-10,13H,4-7H2,1-3H3,(H,19,20)
InChIKeyULDUCKKBHLYMPP-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.10
Rot. Bonds7

About N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide

N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide (PubChem CID 133203996) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
PubChem CID133203996
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
SMILESCCOc1ccc(NC(=O)C(C)(OCC)C2CC2)cc1C#N
InChIInChI=1S/C17H22N2O3/c1-4-21-15-9-8-14(10-12(15)11-18)19-16(20)17(3,22-5-2)13-6-7-13/h8-10,13H,4-7H2,1-3H3,(H,19,20)
InChIKeyULDUCKKBHLYMPP-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

Analyze N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079
[2-cyano-4-[[(2R)-2-cyclopropyl-2-propoxypropanoyl]amino]phenyl] acetate
CID 100769018
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100758108
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide
CID 133203979
methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate
CID 100763279
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The IUPAC name of N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide (CID 133203996) is N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide.
What is the SMILES notation for N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The canonical SMILES for N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide is CCOc1ccc(NC(=O)C(C)(OCC)C2CC2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The InChIKey is ULDUCKKBHLYMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-21-15-9-8-14(10-12(15)11-18)19-16(20)17(3,22-5-2)13-6-7-13/h8-10,13H,4-7H2,1-3H3,(H,19,20).
What are the key properties of N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide 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-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide is sourced from PubChem (CID 133203996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).