4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide

C16H21NO3 — CID 75370788

IUPAC4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCC(=O)c1ccc(C(=O)N(C)CC2CCCOC2)cc1
InChIInChI=1S/C16H21NO3/c1-12(18)14-5-7-15(8-6-14)16(19)17(2)10-13-4-3-9-20-11-13/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyKKPQYKOKGLNTCU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.39
Rot. Bonds4

About 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide

4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 75370788) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID75370788
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCC(=O)c1ccc(C(=O)N(C)CC2CCCOC2)cc1
InChIInChI=1S/C16H21NO3/c1-12(18)14-5-7-15(8-6-14)16(19)17(2)10-13-4-3-9-20-11-13/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyKKPQYKOKGLNTCU-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078
1-[3-chloro-4-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 55226624
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 75370788) is 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide is CC(=O)c1ccc(C(=O)N(C)CC2CCCOC2)cc1.
What is the InChIKey of 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is KKPQYKOKGLNTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(18)14-5-7-15(8-6-14)16(19)17(2)10-13-4-3-9-20-11-13/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide?
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 75370788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).