[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate

C26H25NO5 — CID 26919223

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C26H25NO5/c1-17-8-9-18(2)23(14-17)25(29)21-6-4-5-7-22(21)26(30)32-16-24(28)27-15-19-10-12-20(31-3)13-11-19/h4-14H,15-16H2,1-3H3,(H,27,28)
InChIKeyQRIGXTNTAKCAGM-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.02
Rot. Bonds8

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate (PubChem CID 26919223) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
PubChem CID26919223
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C26H25NO5/c1-17-8-9-18(2)23(14-17)25(29)21-6-4-5-7-22(21)26(30)32-16-24(28)27-15-19-10-12-20(31-3)13-11-19/h4-14H,15-16H2,1-3H3,(H,27,28)
InChIKeyQRIGXTNTAKCAGM-UHFFFAOYSA-N
XLogP4.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 35794790
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535459
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 8887058
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 7444568
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563668
[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544191
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 42968395
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586819
[2-[(3-methylphenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860409

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate (CID 26919223) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate is COc1ccc(CNC(=O)COC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate?
The InChIKey is QRIGXTNTAKCAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5/c1-17-8-9-18(2)23(14-17)25(29)21-6-4-5-7-22(21)26(30)32-16-24(28)27-15-19-10-12-20(31-3)13-11-19/h4-14H,15-16H2,1-3H3,(H,27,28).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate has a molecular weight of 431.49 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate is sourced from PubChem (CID 26919223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).