3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide

C19H22N2O2 — CID 112981171

IUPAC3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCC3CCCO3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-14-4-2-5-15(12-14)19(22)21-17-9-7-16(8-10-17)20-13-18-6-3-11-23-18/h2,4-5,7-10,12,18,20H,3,6,11,13H2,1H3,(H,21,22)
InChIKeyASCCXSUBTQAIJX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.84
Rot. Bonds5

About 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide

3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide (PubChem CID 112981171) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
PubChem CID112981171
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCC3CCCO3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-14-4-2-5-15(12-14)19(22)21-17-9-7-16(8-10-17)20-13-18-6-3-11-23-18/h2,4-5,7-10,12,18,20H,3,6,11,13H2,1H3,(H,21,22)
InChIKeyASCCXSUBTQAIJX-UHFFFAOYSA-N
XLogP3.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981217
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide (CID 112981171) is 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(NCC3CCCO3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The InChIKey is ASCCXSUBTQAIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-4-2-5-15(12-14)19(22)21-17-9-7-16(8-10-17)20-13-18-6-3-11-23-18/h2,4-5,7-10,12,18,20H,3,6,11,13H2,1H3,(H,21,22).
What are the key properties of 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 112981171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).