2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide

C20H24N2O2 — CID 112981217

IUPAC2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NCC3CCCO3)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-15-4-2-5-16(12-15)13-20(23)22-18-9-7-17(8-10-18)21-14-19-6-3-11-24-19/h2,4-5,7-10,12,19,21H,3,6,11,13-14H2,1H3,(H,22,23)
InChIKeyCLSUDLWMSPBJBB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.77
Rot. Bonds6

About 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide

2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide (PubChem CID 112981217) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
PubChem CID112981217
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NCC3CCCO3)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-15-4-2-5-16(12-15)13-20(23)22-18-9-7-17(8-10-18)21-14-19-6-3-11-24-19/h2,4-5,7-10,12,19,21H,3,6,11,13-14H2,1H3,(H,22,23)
InChIKeyCLSUDLWMSPBJBB-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981224
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide (CID 112981217) is 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide is Cc1cccc(CC(=O)Nc2ccc(NCC3CCCO3)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The InChIKey is CLSUDLWMSPBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-4-2-5-16(12-15)13-20(23)22-18-9-7-17(8-10-18)21-14-19-6-3-11-24-19/h2,4-5,7-10,12,19,21H,3,6,11,13-14H2,1H3,(H,22,23).
What are the key properties of 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 112981217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).