3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C15H17NO3 — CID 82786543

IUPAC3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(O)c2C)o1
InChIInChI=1S/C15H17NO3/c1-10-7-8-12(19-10)9-16(3)15(18)13-5-4-6-14(17)11(13)2/h4-8,17H,9H2,1-3H3
InChIKeyPYFDTMPARUFJJW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.87
Rot. Bonds3

About 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide

3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 82786543) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID82786543
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(O)c2C)o1
InChIInChI=1S/C15H17NO3/c1-10-7-8-12(19-10)9-16(3)15(18)13-5-4-6-14(17)11(13)2/h4-8,17H,9H2,1-3H3
InChIKeyPYFDTMPARUFJJW-UHFFFAOYSA-N
XLogP2.87
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenoxybenzamide
CID 2481385
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 60816381
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696217
7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24542566
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]naphthalene-1-carboxamide
CID 24517555
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 82786543) is 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2cccc(O)c2C)o1.
What is the InChIKey of 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is PYFDTMPARUFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-7-8-12(19-10)9-16(3)15(18)13-5-4-6-14(17)11(13)2/h4-8,17H,9H2,1-3H3.
What are the key properties of 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 82786543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).