(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide

C18H24N2O3 — CID 97241109

IUPAC(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1=O
InChIInChI=1S/C18H24N2O3/c1-20-11-15(10-17(20)21)18(22)19-16(9-13-7-8-23-12-13)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,19,22)/t13-,15+,16+/m0/s1
InChIKeyZRJHADASVYHNIM-NUEKZKHPSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds5

About (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 97241109) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID97241109
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1=O
InChIInChI=1S/C18H24N2O3/c1-20-11-15(10-17(20)21)18(22)19-16(9-13-7-8-23-12-13)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,19,22)/t13-,15+,16+/m0/s1
InChIKeyZRJHADASVYHNIM-NUEKZKHPSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201075
3-(3-bromophenyl)-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119192463
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 97241141
(3R)-1-methyl-5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 94092118
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123
(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378
(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95291646
(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95616808
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626221

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide (CID 97241109) is (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide is CN1C[C@H](C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1=O.
What is the InChIKey of (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZRJHADASVYHNIM-NUEKZKHPSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20-11-15(10-17(20)21)18(22)19-16(9-13-7-8-23-12-13)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,19,22)/t13-,15+,16+/m0/s1.
What are the key properties of (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97241109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).