N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide

C20H31N3O — CID 7496289

IUPACN-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
SMILESCN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C20H31N3O/c1-22(2)18-11-9-16(10-12-18)19(23-13-5-6-14-23)15-21-20(24)17-7-3-4-8-17/h9-12,17,19H,3-8,13-15H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyAMYZCQQLTRJERI-LJQANCHMSA-N
MW329.49 g/mol
LogP3.20
Rot. Bonds6

About N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide (PubChem CID 7496289) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
PubChem CID7496289
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
SMILESCN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C20H31N3O/c1-22(2)18-11-9-16(10-12-18)19(23-13-5-6-14-23)15-21-20(24)17-7-3-4-8-17/h9-12,17,19H,3-8,13-15H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyAMYZCQQLTRJERI-LJQANCHMSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 43956875
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclopropanecarboxamide
CID 7497387
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
ethyl N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]carbamate
CID 43956135
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-methoxyacetamide
CID 7496422
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3,3-dimethylbutanamide
CID 7496200
[(1S)-2-(cyclopentanecarbonylamino)-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495828
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 7496559
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]cyclopentanecarboxamide
CID 7496290
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide (CID 7496289) is N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide is CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide?
The InChIKey is AMYZCQQLTRJERI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O/c1-22(2)18-11-9-16(10-12-18)19(23-13-5-6-14-23)15-21-20(24)17-7-3-4-8-17/h9-12,17,19H,3-8,13-15H2,1-2H3,(H,21,24)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide?
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide is sourced from PubChem (CID 7496289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).