[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

C25H24N2O7 — CID 108927978

IUPAC[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCOc1cc(C(=O)Nc2ccccc2NC(=O)c2cccc(OC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O7/c1-15(28)34-18-9-7-8-16(12-18)24(29)26-19-10-5-6-11-20(19)27-25(30)17-13-21(31-2)23(33-4)22(14-17)32-3/h5-14H,1-4H3,(H,26,29)(H,27,30)
InChIKeyGVMWLQQIDDZWOK-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.14
Rot. Bonds8

About [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927978) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927978
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCOc1cc(C(=O)Nc2ccccc2NC(=O)c2cccc(OC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O7/c1-15(28)34-18-9-7-8-16(12-18)24(29)26-19-10-5-6-11-20(19)27-25(30)17-13-21(31-2)23(33-4)22(14-17)32-3/h5-14H,1-4H3,(H,26,29)(H,27,30)
InChIKeyGVMWLQQIDDZWOK-UHFFFAOYSA-N
XLogP4.14
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928132
[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927976
[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928042
[3-[[2-[[3-(2-methoxyphenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928840
[3-[[2-(2-ethylbutanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108928061
[3-[[2-[(4-pyrrol-1-ylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928052
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
[3-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] acetate
CID 108767397
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (CID 108927978) is [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is COc1cc(C(=O)Nc2ccccc2NC(=O)c2cccc(OC(C)=O)c2)cc(OC)c1OC.
What is the InChIKey of [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is GVMWLQQIDDZWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-15(28)34-18-9-7-8-16(12-18)24(29)26-19-10-5-6-11-20(19)27-25(30)17-13-21(31-2)23(33-4)22(14-17)32-3/h5-14H,1-4H3,(H,26,29)(H,27,30).
What are the key properties of [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 464.47 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).