(2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide

C26H27NO5 — CID 68684060

IUPAC(2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide
SMILESCCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc([C@](C)(O)C(N)=O)c1
InChIInChI=1S/C26H27NO5/c1-4-6-18-15-19(24(28)17-9-12-21(31-3)13-10-17)11-14-23(18)32-22-8-5-7-20(16-22)26(2,30)25(27)29/h5,7-16,30H,4,6H2,1-3H3,(H2,27,29)/t26-/m0/s1
InChIKeyJZZJSLWQUWNMGS-SANMLTNESA-N
MW433.50 g/mol
LogP4.36
Rot. Bonds9

About (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide

(2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide (PubChem CID 68684060) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide
PubChem CID68684060
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name(2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide
SMILESCCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc([C@](C)(O)C(N)=O)c1
InChIInChI=1S/C26H27NO5/c1-4-6-18-15-19(24(28)17-9-12-21(31-3)13-10-17)11-14-23(18)32-22-8-5-7-20(16-22)26(2,30)25(27)29/h5,7-16,30H,4,6H2,1-3H3,(H2,27,29)/t26-/m0/s1
InChIKeyJZZJSLWQUWNMGS-SANMLTNESA-N
XLogP4.36
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 59396843
(5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 11993735
(5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 68685701
(4-methoxy-3-propylphenyl)-(4-phenylphenyl)methanone
CID 166044935
(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
CID 166082039
tert-butyl 6-[2-methoxy-5-(4-methoxybenzoyl)phenyl]hexanoate
CID 25181169
bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone
CID 22415190
(5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 59396879
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone
CID 144556494
2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453
2,2,2-tris(3-methoxyphenyl)acetamide
CID 174763658
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide?
The IUPAC name of (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide (CID 68684060) is (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide is CCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc([C@](C)(O)C(N)=O)c1.
What is the InChIKey of (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide?
The InChIKey is JZZJSLWQUWNMGS-SANMLTNESA-N. The full InChI is InChI=1S/C26H27NO5/c1-4-6-18-15-19(24(28)17-9-12-21(31-3)13-10-17)11-14-23(18)32-22-8-5-7-20(16-22)26(2,30)25(27)29/h5,7-16,30H,4,6H2,1-3H3,(H2,27,29)/t26-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide?
(2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide has a molecular weight of 433.50 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide is sourced from PubChem (CID 68684060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).