N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H35N3O2 — CID 113190476

IUPACN-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1N1CC(C(=O)NCCCN(C)C)CC1=O
InChIInChI=1S/C22H35N3O2/c1-15(2)18-9-7-10-19(16(3)4)21(18)25-14-17(13-20(25)26)22(27)23-11-8-12-24(5)6/h7,9-10,15-17H,8,11-14H2,1-6H3,(H,23,27)
InChIKeyAGQGIRHFDSPKFU-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.35
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113190476) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113190476
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1N1CC(C(=O)NCCCN(C)C)CC1=O
InChIInChI=1S/C22H35N3O2/c1-15(2)18-9-7-10-19(16(3)4)21(18)25-14-17(13-20(25)26)22(27)23-11-8-12-24(5)6/h7,9-10,15-17H,8,11-14H2,1-6H3,(H,23,27)
InChIKeyAGQGIRHFDSPKFU-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.35
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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Related Compounds

N-[3-(dimethylamino)propyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120540
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 113188046
N-[3-(dimethylamino)propyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188204
5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186572
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
N-benzyl-1-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186967
N-cyclohexyl-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190469
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192494
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 113190476) is N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CC(C)c1cccc(C(C)C)c1N1CC(C(=O)NCCCN(C)C)CC1=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGQGIRHFDSPKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-15(2)18-9-7-10-19(16(3)4)21(18)25-14-17(13-20(25)26)22(27)23-11-8-12-24(5)6/h7,9-10,15-17H,8,11-14H2,1-6H3,(H,23,27).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113190476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).