(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide

C20H27N3O2 — CID 98203831

IUPAC(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC1CCC1)N1CC[C@@H](N2CC=CC2)C1
InChIInChI=1S/C20H27N3O2/c24-20(23-13-10-17(15-23)22-11-3-4-12-22)21-14-16-6-1-2-9-19(16)25-18-7-5-8-18/h1-4,6,9,17-18H,5,7-8,10-15H2,(H,21,24)/t17-/m1/s1
InChIKeyCFXUGURSDPLMSQ-QGZVFWFLSA-N
MW341.46 g/mol
LogP2.77
Rot. Bonds5

About (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide

(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 98203831) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
PubChem CID98203831
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC1CCC1)N1CC[C@@H](N2CC=CC2)C1
InChIInChI=1S/C20H27N3O2/c24-20(23-13-10-17(15-23)22-11-3-4-12-22)21-14-16-6-1-2-9-19(16)25-18-7-5-8-18/h1-4,6,9,17-18H,5,7-8,10-15H2,(H,21,24)/t17-/m1/s1
InChIKeyCFXUGURSDPLMSQ-QGZVFWFLSA-N
XLogP2.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 56797916
N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 52710137
1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122322
1-[(2-cyclobutyloxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122002784
(3aR,7aS)-N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 124885282
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 98203018
1-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-[(2-cyclobutyloxyphenyl)methyl]urea
CID 97317387
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 98203455

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide (CID 98203831) is (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccccc1OC1CCC1)N1CC[C@@H](N2CC=CC2)C1.
What is the InChIKey of (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is CFXUGURSDPLMSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20(23-13-10-17(15-23)22-11-3-4-12-22)21-14-16-6-1-2-9-19(16)25-18-7-5-8-18/h1-4,6,9,17-18H,5,7-8,10-15H2,(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 98203831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).