2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C20H30N2O3 — CID 129447589

IUPAC2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O
InChIInChI=1S/C20H30N2O3/c1-15-6-3-4-7-16(15)12-21(2)20(24)13-22-10-5-8-18(22)17-14-25-11-9-19(17)23/h3-4,6-7,17-19,23H,5,8-14H2,1-2H3/t17-,18-,19+/m1/s1
InChIKeyRTBGEBPGLRYLDO-QRVBRYPASA-N
MW346.47 g/mol
LogP1.82
Rot. Bonds5

About 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 129447589) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID129447589
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O
InChIInChI=1S/C20H30N2O3/c1-15-6-3-4-7-16(15)12-21(2)20(24)13-22-10-5-8-18(22)17-14-25-11-9-19(17)23/h3-4,6-7,17-19,23H,5,8-14H2,1-2H3/t17-,18-,19+/m1/s1
InChIKeyRTBGEBPGLRYLDO-QRVBRYPASA-N
XLogP1.82
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447502
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60505437
N-benzyl-2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-methylacetamide
CID 129484311
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
N-[(2-fluorophenyl)methyl]-N-methyl-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 60505355
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801973
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56780580
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 78860482

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 129447589) is 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O.
What is the InChIKey of 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is RTBGEBPGLRYLDO-QRVBRYPASA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-6-3-4-7-16(15)12-21(2)20(24)13-22-10-5-8-18(22)17-14-25-11-9-19(17)23/h3-4,6-7,17-19,23H,5,8-14H2,1-2H3/t17-,18-,19+/m1/s1.
What are the key properties of 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 129447589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).