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

C19H26N2O3 — CID 133205489

IUPACN-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOc1ccc(NC(=O)C(C)(OCCC)C2CC2)cc1C#N
InChIInChI=1S/C19H26N2O3/c1-4-10-23-17-9-8-16(12-14(17)13-20)21-18(22)19(3,15-6-7-15)24-11-5-2/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,21,22)
InChIKeyUYCONQXCLTWTGK-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.88
Rot. Bonds9

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

N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (PubChem CID 133205489) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
PubChem CID133205489
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOc1ccc(NC(=O)C(C)(OCCC)C2CC2)cc1C#N
InChIInChI=1S/C19H26N2O3/c1-4-10-23-17-9-8-16(12-14(17)13-20)21-18(22)19(3,15-6-7-15)24-11-5-2/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,21,22)
InChIKeyUYCONQXCLTWTGK-UHFFFAOYSA-N
XLogP3.88
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide 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

(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492
[2-cyano-4-[[(2R)-2-cyclopropyl-2-propoxypropanoyl]amino]phenyl] acetate
CID 100769018
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100758108
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The IUPAC name of N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (CID 133205489) is N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.
What is the SMILES notation for N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The canonical SMILES for N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is CCCOc1ccc(NC(=O)C(C)(OCCC)C2CC2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The InChIKey is UYCONQXCLTWTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-10-23-17-9-8-16(12-14(17)13-20)21-18(22)19(3,15-6-7-15)24-11-5-2/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide has a molecular weight of 330.43 g/mol, XLogP of 3.88, 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-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is sourced from PubChem (CID 133205489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).