4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

C15H22N2O3 — CID 56765172

IUPAC4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-17(2)13-5-3-12(4-6-13)14(18)16-11-15(19)7-9-20-10-8-15/h3-6,19H,7-11H2,1-2H3,(H,16,18)
InChIKeyQABUNFBVDPEVIX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.02
Rot. Bonds4

About 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (PubChem CID 56765172) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
PubChem CID56765172
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-17(2)13-5-3-12(4-6-13)14(18)16-11-15(19)7-9-20-10-8-15/h3-6,19H,7-11H2,1-2H3,(H,16,18)
InChIKeyQABUNFBVDPEVIX-UHFFFAOYSA-N
XLogP1.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (CID 56765172) is 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is CN(C)c1ccc(C(=O)NCC2(O)CCOCC2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The InChIKey is QABUNFBVDPEVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(2)13-5-3-12(4-6-13)14(18)16-11-15(19)7-9-20-10-8-15/h3-6,19H,7-11H2,1-2H3,(H,16,18).
What are the key properties of 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is sourced from PubChem (CID 56765172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).