3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide

C23H28N2O3 — CID 10068352

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)Nc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O3/c1-27-21-12-11-17(15-22(21)28-20-9-5-6-10-20)18-13-14-25(16-18)23(26)24-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,18,20H,5-6,9-10,13-14,16H2,1H3,(H,24,26)
InChIKeyDNSOSBOERXEYEJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.04
Rot. Bonds5

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide

3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide (PubChem CID 10068352) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide
PubChem CID10068352
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)Nc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O3/c1-27-21-12-11-17(15-22(21)28-20-9-5-6-10-20)18-13-14-25(16-18)23(26)24-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,18,20H,5-6,9-10,13-14,16H2,1H3,(H,24,26)
InChIKeyDNSOSBOERXEYEJ-UHFFFAOYSA-N
XLogP5.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide (CID 10068352) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide is COc1ccc(C2CCN(C(=O)Nc3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is DNSOSBOERXEYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-12-11-17(15-22(21)28-20-9-5-6-10-20)18-13-14-25(16-18)23(26)24-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,18,20H,5-6,9-10,13-14,16H2,1H3,(H,24,26).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 10068352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).