(3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate

C18H19N3O6 — CID 68840449

IUPAC(3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate
SMILESCOc1cc(CNC(=O)On2[nH]c3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C18H19N3O6/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-19-18(23)27-21-17(22)12-6-4-5-7-13(12)20-21/h4-9,20H,10H2,1-3H3,(H,19,23)
InChIKeyLPMRXJYWIABTEV-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.69
Rot. Bonds6

About (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate

(3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate (PubChem CID 68840449) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name(3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate
PubChem CID68840449
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name(3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate
SMILESCOc1cc(CNC(=O)On2[nH]c3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C18H19N3O6/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-19-18(23)27-21-17(22)12-6-4-5-7-13(12)20-21/h4-9,20H,10H2,1-3H3,(H,19,23)
InChIKeyLPMRXJYWIABTEV-UHFFFAOYSA-N
XLogP1.69
TPSA103.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
3-benzyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 41261547
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483315
N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
CID 46388327
1-benzyl-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 9284089
N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
CID 70179521
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34436819

Frequently Asked Questions

What is the IUPAC name of (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate?
The IUPAC name of (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate (CID 68840449) is (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate?
The canonical SMILES for (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate is COc1cc(CNC(=O)On2[nH]c3ccccc3c2=O)cc(OC)c1OC.
What is the InChIKey of (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate?
The InChIKey is LPMRXJYWIABTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-19-18(23)27-21-17(22)12-6-4-5-7-13(12)20-21/h4-9,20H,10H2,1-3H3,(H,19,23).
What are the key properties of (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate?
(3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate has a molecular weight of 373.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 68840449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).