N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide

C20H21NO4 — CID 7788104

IUPACN-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
SMILESCCC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO4/c1-4-19(23)15-7-11-18(12-8-15)25-13(2)20(24)16-5-9-17(10-6-16)21-14(3)22/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyNYJLDLDDXJOYGE-ZDUSSCGKSA-N
MW339.39 g/mol
LogP3.89
Rot. Bonds7

About N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide

N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide (PubChem CID 7788104) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
PubChem CID7788104
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
SMILESCCC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO4/c1-4-19(23)15-7-11-18(12-8-15)25-13(2)20(24)16-5-9-17(10-6-16)21-14(3)22/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyNYJLDLDDXJOYGE-ZDUSSCGKSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
CID 39949041
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate
CID 27844669
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
CID 134113078
N,N-dimethyl-2-(4-propanoylphenoxy)propanamide
CID 43085562
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
CID 13292214
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide (CID 7788104) is N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide is CCC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide?
The InChIKey is NYJLDLDDXJOYGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21NO4/c1-4-19(23)15-7-11-18(12-8-15)25-13(2)20(24)16-5-9-17(10-6-16)21-14(3)22/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide?
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide has a molecular weight of 339.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide is sourced from PubChem (CID 7788104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).