2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C16H24N2O3 — CID 154739282

IUPAC2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCOc1cc(C)cc(C(=O)N(C)CC2CCCN2C)c1O
InChIInChI=1S/C16H24N2O3/c1-11-8-13(15(19)14(9-11)21-4)16(20)18(3)10-12-6-5-7-17(12)2/h8-9,12,19H,5-7,10H2,1-4H3
InChIKeyXBUIETWEKKCAKF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.88
Rot. Bonds4

About 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 154739282) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID154739282
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCOc1cc(C)cc(C(=O)N(C)CC2CCCN2C)c1O
InChIInChI=1S/C16H24N2O3/c1-11-8-13(15(19)14(9-11)21-4)16(20)18(3)10-12-6-5-7-17(12)2/h8-9,12,19H,5-7,10H2,1-4H3
InChIKeyXBUIETWEKKCAKF-UHFFFAOYSA-N
XLogP1.88
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 154739282) is 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is COc1cc(C)cc(C(=O)N(C)CC2CCCN2C)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is XBUIETWEKKCAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-8-13(15(19)14(9-11)21-4)16(20)18(3)10-12-6-5-7-17(12)2/h8-9,12,19H,5-7,10H2,1-4H3.
What are the key properties of 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 154739282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).