4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide

C15H20N2O3 — CID 110745427

IUPAC4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)CC2CCCO2)cc1
InChIInChI=1S/C15H20N2O3/c1-11(18)16-13-7-5-12(6-8-13)15(19)17(2)10-14-4-3-9-20-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyRONRBQNSKZDTCR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.90
Rot. Bonds4

About 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide

4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 110745427) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID110745427
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)CC2CCCO2)cc1
InChIInChI=1S/C15H20N2O3/c1-11(18)16-13-7-5-12(6-8-13)15(19)17(2)10-14-4-3-9-20-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyRONRBQNSKZDTCR-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
CID 94818819
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 71934119
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 110745427) is 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CC(=O)Nc1ccc(C(=O)N(C)CC2CCCO2)cc1.
What is the InChIKey of 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RONRBQNSKZDTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)16-13-7-5-12(6-8-13)15(19)17(2)10-14-4-3-9-20-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 276.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 110745427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).