1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone

C19H28N2O2 — CID 124693644

IUPAC1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CNC[C@@H]2CCCO2)C1
InChIInChI=1S/C19H28N2O2/c1-14-6-3-4-8-18(14)16-10-15(2)21(13-16)19(22)12-20-11-17-7-5-9-23-17/h3-4,6,8,15-17,20H,5,7,9-13H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyITOHGRODYAARSN-ZACQAIPSSA-N
MW316.44 g/mol
LogP2.47
Rot. Bonds5

About 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone

1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone (PubChem CID 124693644) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
PubChem CID124693644
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CNC[C@@H]2CCCO2)C1
InChIInChI=1S/C19H28N2O2/c1-14-6-3-4-8-18(14)16-10-15(2)21(13-16)19(22)12-20-11-17-7-5-9-23-17/h3-4,6,8,15-17,20H,5,7,9-13H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyITOHGRODYAARSN-ZACQAIPSSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone with MolForge

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Related Compounds

2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
1-[(2S)-2-methylpiperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439792
1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 125146662
1-(5-ethyl-2-methylmorpholin-4-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 119682256
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
2-(4-aminophenyl)-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119042669
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 60947838
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone?
The IUPAC name of 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone (CID 124693644) is 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone.
What is the SMILES notation for 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone?
The canonical SMILES for 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone is Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CNC[C@@H]2CCCO2)C1.
What is the InChIKey of 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone?
The InChIKey is ITOHGRODYAARSN-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-6-3-4-8-18(14)16-10-15(2)21(13-16)19(22)12-20-11-17-7-5-9-23-17/h3-4,6,8,15-17,20H,5,7,9-13H2,1-2H3/t15-,16-,17+/m1/s1.
What are the key properties of 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone?
1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone has a molecular weight of 316.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone is sourced from PubChem (CID 124693644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).