N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide

C18H23N3O2 — CID 126444433

IUPACN-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2cncn2C)c1
InChIInChI=1S/C18H23N3O2/c1-20(12-16-8-3-4-9-23-16)18(22)15-7-5-6-14(10-15)17-11-19-13-21(17)2/h5-7,10-11,13,16H,3-4,8-9,12H2,1-2H3/t16-/m0/s1
InChIKeyLRGVBBXPTHAIGZ-INIZCTEOSA-N
MW313.40 g/mol
LogP2.73
Rot. Bonds4

About N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide

N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide (PubChem CID 126444433) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
PubChem CID126444433
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2cncn2C)c1
InChIInChI=1S/C18H23N3O2/c1-20(12-16-8-3-4-9-23-16)18(22)15-7-5-6-14(10-15)17-11-19-13-21(17)2/h5-7,10-11,13,16H,3-4,8-9,12H2,1-2H3/t16-/m0/s1
InChIKeyLRGVBBXPTHAIGZ-INIZCTEOSA-N
XLogP2.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
3-(cyclobutylsulfamoyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 72939295
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The IUPAC name of N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide (CID 126444433) is N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The canonical SMILES for N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide is CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2cncn2C)c1.
What is the InChIKey of N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The InChIKey is LRGVBBXPTHAIGZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(12-16-8-3-4-9-23-16)18(22)15-7-5-6-14(10-15)17-11-19-13-21(17)2/h5-7,10-11,13,16H,3-4,8-9,12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide?
N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide is sourced from PubChem (CID 126444433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).