N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide

C15H21N3O3 — CID 54815292

IUPACN-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C15H21N3O3/c1-16-15(20)11-4-6-12(7-5-11)18-14(19)10-17-9-13-3-2-8-21-13/h4-7,13,17H,2-3,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyIYYNGLLMYUOQNX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds6

About N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide

N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide (PubChem CID 54815292) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
PubChem CID54815292
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C15H21N3O3/c1-16-15(20)11-4-6-12(7-5-11)18-14(19)10-17-9-13-3-2-8-21-13/h4-7,13,17H,2-3,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyIYYNGLLMYUOQNX-UHFFFAOYSA-N
XLogP0.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119672849
N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811884
N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 50977763
N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide
CID 54949437
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide (CID 54815292) is N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CNCC2CCCO2)cc1.
What is the InChIKey of N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide?
The InChIKey is IYYNGLLMYUOQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-15(20)11-4-6-12(7-5-11)18-14(19)10-17-9-13-3-2-8-21-13/h4-7,13,17H,2-3,8-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide?
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54815292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).