(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate

C18H19NO7 — CID 18084445

IUPAC(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate
SMILESCOc1ccc(C(N)=O)c(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H19NO7/c1-22-11-5-6-12(17(19)20)13(9-11)26-18(21)10-7-14(23-2)16(25-4)15(8-10)24-3/h5-9H,1-4H3,(H2,19,20)
InChIKeyZYMGQXZNDHYFPF-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.04
Rot. Bonds7

About (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate

(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate (PubChem CID 18084445) has the molecular formula C18H19NO7 and a molecular weight of 361.35 g/mol. Its IUPAC name is (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate
PubChem CID18084445
Molecular FormulaC18H19NO7
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate
SMILESCOc1ccc(C(N)=O)c(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H19NO7/c1-22-11-5-6-12(17(19)20)13(9-11)26-18(21)10-7-14(23-2)16(25-4)15(8-10)24-3/h5-9H,1-4H3,(H2,19,20)
InChIKeyZYMGQXZNDHYFPF-UHFFFAOYSA-N
XLogP2.04
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyl-5-methoxyphenyl) 3,4-dimethoxybenzoate
CID 889085
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
naphthalen-2-yl 3,4,5-trimethoxybenzoate
CID 962053
(4-formylphenyl) 3,4,5-trimethoxybenzoate
CID 780699
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 91972727
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
(3-methoxycarbonylphenyl) 3,4,5-trimethoxybenzoate
CID 8840220
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
2-methoxy-4-(2-oxopropoxy)benzamide
CID 91220438

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate?
The IUPAC name of (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate (CID 18084445) is (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate.
What is the SMILES notation for (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate?
The canonical SMILES for (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate is COc1ccc(C(N)=O)c(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate?
The InChIKey is ZYMGQXZNDHYFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO7/c1-22-11-5-6-12(17(19)20)13(9-11)26-18(21)10-7-14(23-2)16(25-4)15(8-10)24-3/h5-9H,1-4H3,(H2,19,20).
What are the key properties of (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate?
(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate has a molecular weight of 361.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 18084445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).