N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide

C22H19NO3 — CID 51114604

IUPACN-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H19NO3/c1-23(14-15-10-12-16(24)13-11-15)22(25)21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-13,21,24H,14H2,1H3
InChIKeyLPYDPMXHFFAFQR-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.29
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide

N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide (PubChem CID 51114604) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
PubChem CID51114604
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H19NO3/c1-23(14-15-10-12-16(24)13-11-15)22(25)21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-13,21,24H,14H2,1H3
InChIKeyLPYDPMXHFFAFQR-UHFFFAOYSA-N
XLogP4.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-9H-xanthene-9-carboxamide
CID 134005625
N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
CID 9094452
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 4783340
2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237531
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 26899017
5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688209
(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61162686
3-hydroxy-9H-xanthene-9-carboxylic acid
CID 22117056
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66235837
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 51111078
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide (CID 51114604) is N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide is CN(Cc1ccc(O)cc1)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide?
The InChIKey is LPYDPMXHFFAFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-23(14-15-10-12-16(24)13-11-15)22(25)21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-13,21,24H,14H2,1H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide?
N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 51114604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).