N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide

C16H22N2O3 — CID 124624589

IUPACN-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)C[C@H]2CCCOC2)c1
InChIInChI=1S/C16H22N2O3/c1-17-16(20)14-6-2-4-12(8-14)10-18-15(19)9-13-5-3-7-21-11-13/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyVJRVMCOFOYLRCE-CYBMUJFWSA-N
MW290.36 g/mol
LogP1.48
Rot. Bonds5

About N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide

N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide (PubChem CID 124624589) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide
PubChem CID124624589
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)C[C@H]2CCCOC2)c1
InChIInChI=1S/C16H22N2O3/c1-17-16(20)14-6-2-4-12(8-14)10-18-15(19)9-13-5-3-7-21-11-13/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyVJRVMCOFOYLRCE-CYBMUJFWSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylcarbamoyl)phenyl] 3-(oxan-3-yl)propanoate
CID 102559005
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
CID 126431945
N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide
CID 94021194
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95894673
2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549379
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
(4R)-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]azepane-1-carboxamide
CID 95041605

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide (CID 124624589) is N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)C[C@H]2CCCOC2)c1.
What is the InChIKey of N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide?
The InChIKey is VJRVMCOFOYLRCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17-16(20)14-6-2-4-12(8-14)10-18-15(19)9-13-5-3-7-21-11-13/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide?
N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 124624589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).