N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide

C21H24N2O3 — CID 144993930

IUPACN-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H]2C[C@H](CNC(=O)c3ccccc3)CO2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-7-9-18(10-8-15)21(25)23-13-19-11-16(14-26-19)12-22-20(24)17-5-3-2-4-6-17/h2-10,16,19H,11-14H2,1H3,(H,22,24)(H,23,25)/t16-,19+/m1/s1
InChIKeyLSOAWXUFPHYKMW-APWZRJJASA-N
MW352.43 g/mol
LogP2.56
Rot. Bonds6

About N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide

N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide (PubChem CID 144993930) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide
PubChem CID144993930
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H]2C[C@H](CNC(=O)c3ccccc3)CO2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-7-9-18(10-8-15)21(25)23-13-19-11-16(14-26-19)12-22-20(24)17-5-3-2-4-6-17/h2-10,16,19H,11-14H2,1H3,(H,22,24)(H,23,25)/t16-,19+/m1/s1
InChIKeyLSOAWXUFPHYKMW-APWZRJJASA-N
XLogP2.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide
CID 144994040
4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180653
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]pyrimidine-2-carboxamide;molecular hydrogen;propane-2,2-diol
CID 144993937
2-chloro-N-[[4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]oxolan-2-yl]methyl]benzamide;propane-2,2-diol
CID 144994063
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
N-(1,3-dioxolan-4-ylmethyl)benzamide
CID 69336579
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]benzamide
CID 10494166
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide
CID 58923734

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide (CID 144993930) is N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NC[C@@H]2C[C@H](CNC(=O)c3ccccc3)CO2)cc1.
What is the InChIKey of N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide?
The InChIKey is LSOAWXUFPHYKMW-APWZRJJASA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-7-9-18(10-8-15)21(25)23-13-19-11-16(14-26-19)12-22-20(24)17-5-3-2-4-6-17/h2-10,16,19H,11-14H2,1H3,(H,22,24)(H,23,25)/t16-,19+/m1/s1.
What are the key properties of N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide?
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 144993930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).