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

C26H26N2O2 — CID 7670740

IUPAC(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H26N2O2/c1-4-18(2)24-7-5-6-8-25(24)28-26(29)19(3)30-23-15-13-22(14-16-23)21-11-9-20(17-27)10-12-21/h5-16,18-19H,4H2,1-3H3,(H,28,29)/t18-,19-/m0/s1
InChIKeySFISKXDCTNRYQF-OALUTQOASA-N
MW398.51 g/mol
LogP6.14
Rot. Bonds7

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

(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide (PubChem CID 7670740) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide
PubChem CID7670740
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H26N2O2/c1-4-18(2)24-7-5-6-8-25(24)28-26(29)19(3)30-23-15-13-22(14-16-23)21-11-9-20(17-27)10-12-21/h5-16,18-19H,4H2,1-3H3,(H,28,29)/t18-,19-/m0/s1
InChIKeySFISKXDCTNRYQF-OALUTQOASA-N
XLogP6.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide
CID 7670734
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide
CID 7505965
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
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide (CID 7670740) is (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide is CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide?
The InChIKey is SFISKXDCTNRYQF-OALUTQOASA-N. The full InChI is InChI=1S/C26H26N2O2/c1-4-18(2)24-7-5-6-8-25(24)28-26(29)19(3)30-23-15-13-22(14-16-23)21-11-9-20(17-27)10-12-21/h5-16,18-19H,4H2,1-3H3,(H,28,29)/t18-,19-/m0/s1.
What are the key properties of (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide?
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide has a molecular weight of 398.51 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide is sourced from PubChem (CID 7670740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).