N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide

C15H22N2O2 — CID 54949437

IUPACN-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNCC2CCCCO2)cc1
InChIInChI=1S/C15H22N2O2/c1-16-15(18)13-7-5-12(6-8-13)10-17-11-14-4-2-3-9-19-14/h5-8,14,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyIIVAWPDSVXLJCR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds5

About N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide

N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide (PubChem CID 54949437) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide
PubChem CID54949437
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNCC2CCCCO2)cc1
InChIInChI=1S/C15H22N2O2/c1-16-15(18)13-7-5-12(6-8-13)10-17-11-14-4-2-3-9-19-14/h5-8,14,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyIIVAWPDSVXLJCR-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
CID 60984984
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
4-[[[(3S)-1,4-dioxaspiro[4.6]undecan-3-yl]methylamino]methyl]-N-methylbenzamide
CID 97338254
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide (CID 54949437) is N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide is CNC(=O)c1ccc(CNCC2CCCCO2)cc1.
What is the InChIKey of N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide?
The InChIKey is IIVAWPDSVXLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-15(18)13-7-5-12(6-8-13)10-17-11-14-4-2-3-9-19-14/h5-8,14,17H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide?
N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide has a molecular weight of 262.35 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 N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 54949437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).