2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide

C16H24N2O5 — CID 108994315

IUPAC2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNCC2CCCO2)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-20-13-7-11(8-14(21-2)16(13)22-3)18-15(19)10-17-9-12-5-4-6-23-12/h7-8,12,17H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyLPHOWCXWCUZAGD-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.42
Rot. Bonds8

About 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 108994315) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID108994315
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNCC2CCCO2)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-20-13-7-11(8-14(21-2)16(13)22-3)18-15(19)10-17-9-12-5-4-6-23-12/h7-8,12,17H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyLPHOWCXWCUZAGD-UHFFFAOYSA-N
XLogP1.42
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119673691
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 108994315) is 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CNCC2CCCO2)cc(OC)c1OC.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is LPHOWCXWCUZAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-20-13-7-11(8-14(21-2)16(13)22-3)18-15(19)10-17-9-12-5-4-6-23-12/h7-8,12,17H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 108994315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).