3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

C15H22N2O3 — CID 107301705

IUPAC3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11-15(19,7-8-20-11)10-16-14(18)12-5-4-6-13(9-12)17(2)3/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyMJWPQJWUGWYTHG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.02
Rot. Bonds4

About 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (PubChem CID 107301705) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
PubChem CID107301705
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11-15(19,7-8-20-11)10-16-14(18)12-5-4-6-13(9-12)17(2)3/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyMJWPQJWUGWYTHG-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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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
3-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362491
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylbenzamide
CID 107302290

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (CID 107301705) is 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is CC1OCCC1(O)CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The InChIKey is MJWPQJWUGWYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-15(19,7-8-20-11)10-16-14(18)12-5-4-6-13(9-12)17(2)3/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-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 3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 107301705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).