3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide

C16H22N2O5 — CID 18160278

IUPAC3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H22N2O5/c1-21-13-6-11(7-14(8-13)22-2)16(20)18-10-15(19)17-9-12-4-3-5-23-12/h6-8,12H,3-5,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBFDJWDSRFSCSKQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.73
Rot. Bonds7

About 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide

3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide (PubChem CID 18160278) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
PubChem CID18160278
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H22N2O5/c1-21-13-6-11(7-14(8-13)22-2)16(20)18-10-15(19)17-9-12-4-3-5-23-12/h6-8,12H,3-5,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBFDJWDSRFSCSKQ-UHFFFAOYSA-N
XLogP0.73
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 112975611
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-[[(2R)-oxolan-2-yl]methylcarbamothioyl]hydrazinyl]butan-2-yl]benzamide
CID 34083008
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
1-(3,5-dimethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 799412
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide (CID 18160278) is 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCC(=O)NCC2CCCO2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide?
The InChIKey is BFDJWDSRFSCSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-21-13-6-11(7-14(8-13)22-2)16(20)18-10-15(19)17-9-12-4-3-5-23-12/h6-8,12H,3-5,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide?
3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide has a molecular weight of 322.36 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 18160278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).