(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide

C20H24N2O2 — CID 97332675

IUPAC(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCc1cccc(CN(Cc2ccccc2)C(=O)[C@H]2CCO[C@H]2C)n1
InChIInChI=1S/C20H24N2O2/c1-15-7-6-10-18(21-15)14-22(13-17-8-4-3-5-9-17)20(23)19-11-12-24-16(19)2/h3-10,16,19H,11-14H2,1-2H3/t16-,19-/m0/s1
InChIKeyAQRIWMFEQCEZSH-LPHOPBHVSA-N
MW324.42 g/mol
LogP3.34
Rot. Bonds5

About (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide

(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 97332675) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID97332675
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCc1cccc(CN(Cc2ccccc2)C(=O)[C@H]2CCO[C@H]2C)n1
InChIInChI=1S/C20H24N2O2/c1-15-7-6-10-18(21-15)14-22(13-17-8-4-3-5-9-17)20(23)19-11-12-24-16(19)2/h3-10,16,19H,11-14H2,1-2H3/t16-,19-/m0/s1
InChIKeyAQRIWMFEQCEZSH-LPHOPBHVSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332672
3-[benzyl-(2-methyloxane-3-carbonyl)amino]propanoic acid
CID 136553511
N-benzyl-N-(2-hydroxy-2-methylpropyl)-2-methyloxane-3-carboxamide
CID 129000788
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750370
N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
CID 79751202
1-benzyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(3-methylsulfanylpropyl)urea
CID 119073642
N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750294
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 142111486
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea
CID 119070210
N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
CID 46957288
N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide
CID 137216385

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide (CID 97332675) is (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide is Cc1cccc(CN(Cc2ccccc2)C(=O)[C@H]2CCO[C@H]2C)n1.
What is the InChIKey of (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is AQRIWMFEQCEZSH-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-6-10-18(21-15)14-22(13-17-8-4-3-5-9-17)20(23)19-11-12-24-16(19)2/h3-10,16,19H,11-14H2,1-2H3/t16-,19-/m0/s1.
What are the key properties of (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide?
(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 97332675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).