(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide

C21H23NO4 — CID 51906069

IUPAC(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H23NO4/c1-14(23)7-8-17-9-11-20(12-10-17)26-16(3)21(25)22-19-6-4-5-18(13-19)15(2)24/h4-6,9-13,16H,7-8H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyYGWXZHAHVFOMKW-MRXNPFEDSA-N
MW353.42 g/mol
LogP3.82
Rot. Bonds8

About (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide

(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide (PubChem CID 51906069) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
PubChem CID51906069
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H23NO4/c1-14(23)7-8-17-9-11-20(12-10-17)26-16(3)21(25)22-19-6-4-5-18(13-19)15(2)24/h4-6,9-13,16H,7-8H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyYGWXZHAHVFOMKW-MRXNPFEDSA-N
XLogP3.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654441
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 42904100
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
CID 26517522
N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
CID 53266042
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864581
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide (CID 51906069) is (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide is CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The InChIKey is YGWXZHAHVFOMKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(23)7-8-17-9-11-20(12-10-17)26-16(3)21(25)22-19-6-4-5-18(13-19)15(2)24/h4-6,9-13,16H,7-8H2,1-3H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide?
(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide is sourced from PubChem (CID 51906069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).