2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide

C15H22N2O3 — CID 114952943

IUPAC2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1ccccc1C(N)=O)CC1(O)CCOCC1
InChIInChI=1S/C15H22N2O3/c1-17(11-15(19)6-8-20-9-7-15)10-12-4-2-3-5-13(12)14(16)18/h2-5,19H,6-11H2,1H3,(H2,16,18)
InChIKeyRAOVIXKYGUPGEQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.76
Rot. Bonds5

About 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide

2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide (PubChem CID 114952943) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
PubChem CID114952943
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1ccccc1C(N)=O)CC1(O)CCOCC1
InChIInChI=1S/C15H22N2O3/c1-17(11-15(19)6-8-20-9-7-15)10-12-4-2-3-5-13(12)14(16)18/h2-5,19H,6-11H2,1H3,(H2,16,18)
InChIKeyRAOVIXKYGUPGEQ-UHFFFAOYSA-N
XLogP0.76
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide?
The IUPAC name of 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide (CID 114952943) is 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide.
What is the SMILES notation for 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide?
The canonical SMILES for 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide is CN(Cc1ccccc1C(N)=O)CC1(O)CCOCC1.
What is the InChIKey of 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide?
The InChIKey is RAOVIXKYGUPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(11-15(19)6-8-20-9-7-15)10-12-4-2-3-5-13(12)14(16)18/h2-5,19H,6-11H2,1H3,(H2,16,18).
What are the key properties of 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide?
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide is sourced from PubChem (CID 114952943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).