1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

C18H23N3O3 — CID 124506525

IUPAC1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
SMILESCc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1
InChIInChI=1S/C18H23N3O3/c1-12-5-3-4-6-15(12)14-9-13(2)21(10-14)17(23)11-20-8-7-16(22)19-18(20)24/h3-6,13-14H,7-11H2,1-2H3,(H,19,22,24)/t13-,14+/m1/s1
InChIKeySSKRLCZQUGVDAG-KGLIPLIRSA-N
MW329.40 g/mol
LogP1.64
Rot. Bonds3

About 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione (PubChem CID 124506525) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
PubChem CID124506525
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
SMILESCc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1
InChIInChI=1S/C18H23N3O3/c1-12-5-3-4-6-15(12)14-9-13(2)21(10-14)17(23)11-20-8-7-16(22)19-18(20)24/h3-6,13-14H,7-11H2,1-2H3,(H,19,22,24)/t13-,14+/m1/s1
InChIKeySSKRLCZQUGVDAG-KGLIPLIRSA-N
XLogP1.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124693064
2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
2-(4-aminophenyl)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124595059
2-(4-aminophenyl)-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119042669
4-[2-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 167891225
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124595969
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124693628
(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 119331256
1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124693644
(2R)-2-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124829667
[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119331250
[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135055

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione (CID 124506525) is 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione is Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1.
What is the InChIKey of 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The InChIKey is SSKRLCZQUGVDAG-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-5-3-4-6-15(12)14-9-13(2)21(10-14)17(23)11-20-8-7-16(22)19-18(20)24/h3-6,13-14H,7-11H2,1-2H3,(H,19,22,24)/t13-,14+/m1/s1.
What are the key properties of 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 124506525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).