N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide

C19H21NO4 — CID 3408522

IUPACN-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide
SMILESCOC(CN(C)C(=O)C1c2ccccc2Oc2ccccc21)OC
InChIInChI=1S/C19H21NO4/c1-20(12-17(22-2)23-3)19(21)18-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)18/h4-11,17-18H,12H2,1-3H3
InChIKeyBCZOUQDHUYWSRY-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.00
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide

N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide (PubChem CID 3408522) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide
PubChem CID3408522
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide
SMILESCOC(CN(C)C(=O)C1c2ccccc2Oc2ccccc21)OC
InChIInChI=1S/C19H21NO4/c1-20(12-17(22-2)23-3)19(21)18-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)18/h4-11,17-18H,12H2,1-3H3
InChIKeyBCZOUQDHUYWSRY-UHFFFAOYSA-N
XLogP3.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide (CID 3408522) is N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide is COC(CN(C)C(=O)C1c2ccccc2Oc2ccccc21)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide?
The InChIKey is BCZOUQDHUYWSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-20(12-17(22-2)23-3)19(21)18-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)18/h4-11,17-18H,12H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide?
N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 3408522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).