N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide

C16H24N2O2 — CID 54815604

IUPACN-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNCC1CCCO1
InChIInChI=1S/C16H24N2O2/c1-3-13-7-4-6-12(2)16(13)18-15(19)11-17-10-14-8-5-9-20-14/h4,6-7,14,17H,3,5,8-11H2,1-2H3,(H,18,19)
InChIKeyNSEMMTDAMHQIMV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide

N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 54815604) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID54815604
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNCC1CCCO1
InChIInChI=1S/C16H24N2O2/c1-3-13-7-4-6-12(2)16(13)18-15(19)11-17-10-14-8-5-9-20-14/h4,6-7,14,17H,3,5,8-11H2,1-2H3,(H,18,19)
InChIKeyNSEMMTDAMHQIMV-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016078
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
N-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821
N-(2,6-dimethylphenyl)-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]acetamide
CID 8790889
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
N-(2-ethyl-6-methylphenyl)-2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51141362
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
N-(2-ethyl-6-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055309

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 54815604) is N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide is CCc1cccc(C)c1NC(=O)CNCC1CCCO1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is NSEMMTDAMHQIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-13-7-4-6-12(2)16(13)18-15(19)11-17-10-14-8-5-9-20-14/h4,6-7,14,17H,3,5,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 54815604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).