(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate

C21H23NO5 — CID 2432854

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C21H23NO5/c1-13-7-14(2)9-17(8-13)21(25)22-11-20(24)27-12-18-10-16(15(3)23)5-6-19(18)26-4/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyYGLVEWWCISCQHP-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.99
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate

(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 2432854) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID2432854
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C21H23NO5/c1-13-7-14(2)9-17(8-13)21(25)22-11-20(24)27-12-18-10-16(15(3)23)5-6-19(18)26-4/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyYGLVEWWCISCQHP-UHFFFAOYSA-N
XLogP2.99
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 2432854) is (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate is COc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is YGLVEWWCISCQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-7-14(2)9-17(8-13)21(25)22-11-20(24)27-12-18-10-16(15(3)23)5-6-19(18)26-4/h5-10H,11-12H2,1-4H3,(H,22,25).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 369.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 2432854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).