N-ethyl-N-methyl-9H-xanthene-9-carboxamide

C17H17NO2 — CID 134005625

IUPACN-ethyl-N-methyl-9H-xanthene-9-carboxamide
SMILESCCN(C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H17NO2/c1-3-18(2)17(19)16-12-8-4-6-10-14(12)20-15-11-7-5-9-13(15)16/h4-11,16H,3H2,1-2H3
InChIKeyTVTFJVLBVPCBCM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.40
Rot. Bonds2

About N-ethyl-N-methyl-9H-xanthene-9-carboxamide

N-ethyl-N-methyl-9H-xanthene-9-carboxamide (PubChem CID 134005625) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-9H-xanthene-9-carboxamide
PubChem CID134005625
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-ethyl-N-methyl-9H-xanthene-9-carboxamide
SMILESCCN(C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H17NO2/c1-3-18(2)17(19)16-12-8-4-6-10-14(12)20-15-11-7-5-9-13(15)16/h4-11,16H,3H2,1-2H3
InChIKeyTVTFJVLBVPCBCM-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 4783340
N-(2,2-dimethoxyethyl)-N-methyl-9H-xanthene-9-carboxamide
CID 3408522
N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
CID 51114604
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 26899017
N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
CID 9094452
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 51111078
1-(9H-xanthen-9-yl)pentan-1-one
CID 141493444
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-9H-xanthene-9-carboxamide
CID 4783938
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
sodium;hydride;9H-xanthene-9-carboxylic acid
CID 174314940
3-[methyl(9H-xanthen-9-yl)amino]propanoic acid
CID 65063528
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 40609025

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-ethyl-N-methyl-9H-xanthene-9-carboxamide (CID 134005625) is N-ethyl-N-methyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-9H-xanthene-9-carboxamide is CCN(C)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-ethyl-N-methyl-9H-xanthene-9-carboxamide?
The InChIKey is TVTFJVLBVPCBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-18(2)17(19)16-12-8-4-6-10-14(12)20-15-11-7-5-9-13(15)16/h4-11,16H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-9H-xanthene-9-carboxamide?
N-ethyl-N-methyl-9H-xanthene-9-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 134005625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).