2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide

C22H25NO4 — CID 39949041

IUPAC2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
SMILESCCC(=O)c1ccc(O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C22H25NO4/c1-5-20(24)16-8-12-19(13-9-16)27-15(4)21(25)17-6-10-18(11-7-17)23-22(26)14(2)3/h6-15H,5H2,1-4H3,(H,23,26)/t15-/m1/s1
InChIKeyFUUIUVYYFYSUEC-OAHLLOKOSA-N
MW367.45 g/mol
LogP4.52
Rot. Bonds8

About 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide

2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide (PubChem CID 39949041) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
PubChem CID39949041
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
SMILESCCC(=O)c1ccc(O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C22H25NO4/c1-5-20(24)16-8-12-19(13-9-16)27-15(4)21(25)17-6-10-18(11-7-17)23-22(26)14(2)3/h6-15H,5H2,1-4H3,(H,23,26)/t15-/m1/s1
InChIKeyFUUIUVYYFYSUEC-OAHLLOKOSA-N
XLogP4.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 9487294
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487246
N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide
CID 2468229
(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788153
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 40747138
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide (CID 39949041) is 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide is CCC(=O)c1ccc(O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide?
The InChIKey is FUUIUVYYFYSUEC-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25NO4/c1-5-20(24)16-8-12-19(13-9-16)27-15(4)21(25)17-6-10-18(11-7-17)23-22(26)14(2)3/h6-15H,5H2,1-4H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide?
2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide is sourced from PubChem (CID 39949041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).