(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide

C21H30N2O2 — CID 124886358

IUPAC(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide
SMILESC=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([C@H]2CCOC2)C1
InChIInChI=1S/C21H30N2O2/c1-4-6-16-7-5-8-19(15(2)3)20(16)22-21(24)23-11-9-17(13-23)18-10-12-25-14-18/h4-5,7-8,15,17-18H,1,6,9-14H2,2-3H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyCUZZSSDGHPERLP-MSOLQXFVSA-N
MW342.48 g/mol
LogP4.43
Rot. Bonds5

About (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide

(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide (PubChem CID 124886358) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide
PubChem CID124886358
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide
SMILESC=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([C@H]2CCOC2)C1
InChIInChI=1S/C21H30N2O2/c1-4-6-16-7-5-8-19(15(2)3)20(16)22-21(24)23-11-9-17(13-23)18-10-12-25-14-18/h4-5,7-8,15,17-18H,1,6,9-14H2,2-3H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyCUZZSSDGHPERLP-MSOLQXFVSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
CID 124744199
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea
CID 124623277
4-[(2-propan-2-yl-6-prop-2-enylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091259
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea
CID 124733221
N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103376
3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-prop-2-enylpyrrolidine-1-carboxamide
CID 45202534
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 167931777

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide (CID 124886358) is (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide is C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([C@H]2CCOC2)C1.
What is the InChIKey of (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is CUZZSSDGHPERLP-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-4-6-16-7-5-8-19(15(2)3)20(16)22-21(24)23-11-9-17(13-23)18-10-12-25-14-18/h4-5,7-8,15,17-18H,1,6,9-14H2,2-3H3,(H,22,24)/t17-,18+/m1/s1.
What are the key properties of (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide?
(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124886358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).