(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide

C20H22N2O2 — CID 7643356

IUPAC(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
SMILESCC[C@@H](C)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-4-14(2)16-9-11-18(12-10-16)24-15(3)20(23)22-19-8-6-5-7-17(19)13-21/h5-12,14-15H,4H2,1-3H3,(H,22,23)/t14-,15+/m1/s1
InChIKeyAYFAVJUWCBBTMP-CABCVRRESA-N
MW322.41 g/mol
LogP4.48
Rot. Bonds6

About (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide

(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide (PubChem CID 7643356) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
PubChem CID7643356
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
SMILESCC[C@@H](C)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-4-14(2)16-9-11-18(12-10-16)24-15(3)20(23)22-19-8-6-5-7-17(19)13-21/h5-12,14-15H,4H2,1-3H3,(H,22,23)/t14-,15+/m1/s1
InChIKeyAYFAVJUWCBBTMP-CABCVRRESA-N
XLogP4.48
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide 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-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide
CID 7505965
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686205
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide
CID 7670740
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide
CID 7670734
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447596
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
(2R)-N-(2-cyanophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
CID 7643000
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide?
The IUPAC name of (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide (CID 7643356) is (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide is CC[C@@H](C)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide?
The InChIKey is AYFAVJUWCBBTMP-CABCVRRESA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-14(2)16-9-11-18(12-10-16)24-15(3)20(23)22-19-8-6-5-7-17(19)13-21/h5-12,14-15H,4H2,1-3H3,(H,22,23)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide?
(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 7643356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).