2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide

C14H20N2O2 — CID 54810604

IUPAC2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H20N2O2/c1-11-4-2-5-12(8-11)15-10-14(17)16-9-13-6-3-7-18-13/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyRGUBGAJNZQVPMT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds5

About 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 54810604) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID54810604
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H20N2O2/c1-11-4-2-5-12(8-11)15-10-14(17)16-9-13-6-3-7-18-13/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyRGUBGAJNZQVPMT-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829868
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 54810604) is 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide is Cc1cccc(NCC(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RGUBGAJNZQVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-2-5-12(8-11)15-10-14(17)16-9-13-6-3-7-18-13/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 54810604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).