(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C20H30N2O3 — CID 124572131

IUPAC(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCCN2C(=O)NCCCOC2CCCC2)c1
InChIInChI=1S/C20H30N2O3/c1-24-18-10-4-7-16(15-18)19-11-5-13-22(19)20(23)21-12-6-14-25-17-8-2-3-9-17/h4,7,10,15,17,19H,2-3,5-6,8-9,11-14H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyVWISRPDTVLEECS-IBGZPJMESA-N
MW346.47 g/mol
LogP3.89
Rot. Bonds7

About (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 124572131) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID124572131
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCCN2C(=O)NCCCOC2CCCC2)c1
InChIInChI=1S/C20H30N2O3/c1-24-18-10-4-7-16(15-18)19-11-5-13-22(19)20(23)21-12-6-14-25-17-8-2-3-9-17/h4,7,10,15,17,19H,2-3,5-6,8-9,11-14H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyVWISRPDTVLEECS-IBGZPJMESA-N
XLogP3.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 124572131) is (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cccc([C@@H]2CCCN2C(=O)NCCCOC2CCCC2)c1.
What is the InChIKey of (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is VWISRPDTVLEECS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-18-10-4-7-16(15-18)19-11-5-13-22(19)20(23)21-12-6-14-25-17-8-2-3-9-17/h4,7,10,15,17,19H,2-3,5-6,8-9,11-14H2,1H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124572131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).