(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide

C20H22N2O2 — CID 7505965

IUPAC(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-4-14(2)18-7-5-6-8-19(18)22-20(23)15(3)24-17-11-9-16(13-21)10-12-17/h5-12,14-15H,4H2,1-3H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyHPHOLVZMBJQGFC-LSDHHAIUSA-N
MW322.41 g/mol
LogP4.48
Rot. Bonds6

About (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide

(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide (PubChem CID 7505965) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide
PubChem CID7505965
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-4-14(2)18-7-5-6-8-19(18)22-20(23)15(3)24-17-11-9-16(13-21)10-12-17/h5-12,14-15H,4H2,1-3H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyHPHOLVZMBJQGFC-LSDHHAIUSA-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

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Related Compounds

(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-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
methyl 4-[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]oxybenzoate
CID 7679093
(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
CID 7643356
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731
(2R)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524467
(2S)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524469
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7210480
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751744

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide?
The IUPAC name of (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide (CID 7505965) is (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide is CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1.
What is the InChIKey of (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide?
The InChIKey is HPHOLVZMBJQGFC-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-14(2)18-7-5-6-8-19(18)22-20(23)15(3)24-17-11-9-16(13-21)10-12-17/h5-12,14-15H,4H2,1-3H3,(H,22,23)/t14-,15+/m0/s1.
What are the key properties of (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide?
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)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 (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 7505965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).