(2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide

C18H26N2O3 — CID 110196976

IUPAC(2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1CC1CC1
InChIInChI=1S/C18H26N2O3/c1-22-10-9-19-18(21)17-11-16(13-20(17)12-14-7-8-14)23-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyQSCMZYFBYCKMHV-DLBZAZTESA-N
MW318.42 g/mol
LogP1.68
Rot. Bonds8

About (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide

(2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110196976) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110196976
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1CC1CC1
InChIInChI=1S/C18H26N2O3/c1-22-10-9-19-18(21)17-11-16(13-20(17)12-14-7-8-14)23-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyQSCMZYFBYCKMHV-DLBZAZTESA-N
XLogP1.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide (CID 110196976) is (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide is COCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1CC1CC1.
What is the InChIKey of (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is QSCMZYFBYCKMHV-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-10-9-19-18(21)17-11-16(13-20(17)12-14-7-8-14)23-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,19,21)/t16-,17+/m0/s1.
What are the key properties of (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide?
(2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110196976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).