benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate

C25H23NO6 — CID 44557800

IUPACbenzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate
SMILESCOc1ccccc1C(=O)NC(C(=O)OCc1ccccc1)C(=O)c1ccccc1OC
InChIInChI=1S/C25H23NO6/c1-30-20-14-8-6-12-18(20)23(27)22(25(29)32-16-17-10-4-3-5-11-17)26-24(28)19-13-7-9-15-21(19)31-2/h3-15,22H,16H2,1-2H3,(H,26,28)
InChIKeyUDKOREAXFSBTPG-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.43
Rot. Bonds9

About benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate

benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate (PubChem CID 44557800) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate.

Molecular Properties

Compound Namebenzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate
PubChem CID44557800
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Namebenzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate
SMILESCOc1ccccc1C(=O)NC(C(=O)OCc1ccccc1)C(=O)c1ccccc1OC
InChIInChI=1S/C25H23NO6/c1-30-20-14-8-6-12-18(20)23(27)22(25(29)32-16-17-10-4-3-5-11-17)26-24(28)19-13-7-9-15-21(19)31-2/h3-15,22H,16H2,1-2H3,(H,26,28)
InChIKeyUDKOREAXFSBTPG-UHFFFAOYSA-N
XLogP3.43
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
benzyl 3-oxo-3-phenyl-2-[[2-(trifluoromethoxy)benzoyl]amino]propanoate
CID 44557665
benzyl 2-[(4-methoxybenzoyl)amino]-3-oxo-3-phenylpropanoate
CID 44557729
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
2-methoxybenzohydrazide
CID 24051
N-butan-2-yl-2-methoxybenzamide
CID 3117660
(4-nitrophenyl)methyl (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982696
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924250
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate?
The IUPAC name of benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate (CID 44557800) is benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate.
What is the SMILES notation for benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate?
The canonical SMILES for benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate is COc1ccccc1C(=O)NC(C(=O)OCc1ccccc1)C(=O)c1ccccc1OC.
What is the InChIKey of benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate?
The InChIKey is UDKOREAXFSBTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-30-20-14-8-6-12-18(20)23(27)22(25(29)32-16-17-10-4-3-5-11-17)26-24(28)19-13-7-9-15-21(19)31-2/h3-15,22H,16H2,1-2H3,(H,26,28).
What are the key properties of benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate?
benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate has a molecular weight of 433.46 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate is sourced from PubChem (CID 44557800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).