N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

C20H25N3O4 — CID 171142108

IUPACN-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CC(Oc2ccccc2)CN1C(=O)c1cccn1C
InChIInChI=1S/C20H25N3O4/c1-22-11-6-9-17(22)20(25)23-14-16(27-15-7-4-3-5-8-15)13-18(23)19(24)21-10-12-26-2/h3-9,11,16,18H,10,12-14H2,1-2H3,(H,21,24)
InChIKeyNBKVWCGMFGXZSF-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.45
Rot. Bonds7

About N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 171142108) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
PubChem CID171142108
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CC(Oc2ccccc2)CN1C(=O)c1cccn1C
InChIInChI=1S/C20H25N3O4/c1-22-11-6-9-17(22)20(25)23-14-16(27-15-7-4-3-5-8-15)13-18(23)19(24)21-10-12-26-2/h3-9,11,16,18H,10,12-14H2,1-2H3,(H,21,24)
InChIKeyNBKVWCGMFGXZSF-UHFFFAOYSA-N
XLogP1.45
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide (CID 171142108) is N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide is COCCNC(=O)C1CC(Oc2ccccc2)CN1C(=O)c1cccn1C.
What is the InChIKey of N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is NBKVWCGMFGXZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-22-11-6-9-17(22)20(25)23-14-16(27-15-7-4-3-5-8-15)13-18(23)19(24)21-10-12-26-2/h3-9,11,16,18H,10,12-14H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 171142108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).