2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

C14H19NO4 — CID 4781408

IUPAC2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)NCC2CCCO2)c1OC
InChIInChI=1S/C14H19NO4/c1-17-12-7-3-6-11(13(12)18-2)14(16)15-9-10-5-4-8-19-10/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,15,16)
InChIKeyDSYDPMLIHOITOI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds5

About 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4781408) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4781408
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)NCC2CCCO2)c1OC
InChIInChI=1S/C14H19NO4/c1-17-12-7-3-6-11(13(12)18-2)14(16)15-9-10-5-4-8-19-10/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,15,16)
InChIKeyDSYDPMLIHOITOI-UHFFFAOYSA-N
XLogP1.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide
CID 96557798
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
CID 114313919
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide
CID 18583783
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3-dimethoxybenzamide
CID 7423485
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 59813247

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 4781408) is 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is COc1cccc(C(=O)NCC2CCCO2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is DSYDPMLIHOITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-7-3-6-11(13(12)18-2)14(16)15-9-10-5-4-8-19-10/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4781408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).