6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid — IUPAC name, SMILES, InChIKey & properties

Name: 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid

6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid (PubChem CID 157052505) has the molecular formula C104H151N11O22 and a molecular weight of 1907.41 g/mol. Its IUPAC name is 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name	6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid
PubChem CID	157052505
Molecular Formula	C104H151N11O22
Molecular Weight	1907.41 g/mol
Exact Mass	1906.10
IUPAC Name	6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid
SMILES	CCCNC(=O)CCCCCCC1CCCN1C(=O)C(=O)C(C)(C)CC.CCCONC(=O)C1CCCN1C(=O)C(=O)c1ccc(C)cc1.CCNC(=O)CCCCCC1CCCN1C(=O)C(=O)C(C)(C)CC.CCONC(=O)C1CCCN1C(=O)C(=O)Cc1ccccc1.CONC(=O)C1CCCN1C(=O)C(=O)Cc1ccccc1.O=C(O)CCC1CCCN1C(=O)C(=O)Cc1ccccc1
InChI	InChI=1S/C21H38N2O3.C19H34N2O3.C17H22N2O4.C16H20N2O4.C16H19NO4.C15H18N2O4/c1-5-15-22-18(24)14-10-8-7-9-12-17-13-11-16-23(17)20(26)19(25)21(3,4)6-2;1-5-19(3,4)17(23)18(24)21-14-10-12-15(21)11-8-7-9-13-16(22)20-6-2;1-3-11-23-18-16(21)14-5-4-10-19(14)17(22)15(20)13-8-6-12(2)7-9-13;1-2-22-17-15(20)13-9-6-10-18(13)16(21)14(19)11-12-7-4-3-5-8-12;18-14(11-12-5-2-1-3-6-12)16(21)17-10-4-7-13(17)8-9-15(19)20;1-21-16-14(19)12-8-5-9-17(12)15(20)13(18)10-11-6-3-2-4-7-11/h17H,5-16H2,1-4H3,(H,22,24);15H,5-14H2,1-4H3,(H,20,22);6-9,14H,3-5,10-11H2,1-2H3,(H,18,21);3-5,7-8,13H,2,6,9-11H2,1H3,(H,17,20);1-3,5-6,13H,4,7-11H2,(H,19,20);2-4,6-7,12H,5,8-10H2,1H3,(H,16,19)
InChIKey	AAJIPLKEHRMKDJ-UHFFFAOYSA-N
XLogP	11.52
TPSA	434.77 Å²
H-Bond Donors	6
H-Bond Acceptors	21
Rotatable Bonds	45
Heavy Atoms	137
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.41
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid?

The IUPAC name of 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid (CID 157052505) is 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid.

What is the SMILES notation for 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid?

The canonical SMILES for 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid is CCCNC(=O)CCCCCCC1CCCN1C(=O)C(=O)C(C)(C)CC.CCCONC(=O)C1CCCN1C(=O)C(=O)c1ccc(C)cc1.CCNC(=O)CCCCCC1CCCN1C(=O)C(=O)C(C)(C)CC.CCONC(=O)C1CCCN1C(=O)C(=O)Cc1ccccc1.CONC(=O)C1CCCN1C(=O)C(=O)Cc1ccccc1.O=C(O)CCC1CCCN1C(=O)C(=O)Cc1ccccc1.

What is the InChIKey of 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid?

The InChIKey is AAJIPLKEHRMKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3.C19H34N2O3.C17H22N2O4.C16H20N2O4.C16H19NO4.C15H18N2O4/c1-5-15-22-18(24)14-10-8-7-9-12-17-13-11-16-23(17)20(26)19(25)21(3,4)6-2;1-5-19(3,4)17(23)18(24)21-14-10-12-15(21)11-8-7-9-13-16(22)20-6-2;1-3-11-23-18-16(21)14-5-4-10-19(14)17(22)15(20)13-8-6-12(2)7-9-13;1-2-22-17-15(20)13-9-6-10-18(13)16(21)14(19)11-12-7-4-3-5-8-12;18-14(11-12-5-2-1-3-6-12)16(21)17-10-4-7-13(17)8-9-15(19)20;1-21-16-14(19)12-8-5-9-17(12)15(20)13(18)10-11-6-3-2-4-7-11/h17H,5-16H2,1-4H3,(H,22,24);15H,5-14H2,1-4H3,(H,20,22);6-9,14H,3-5,10-11H2,1-2H3,(H,18,21);3-5,7-8,13H,2,6,9-11H2,1H3,(H,17,20);1-3,5-6,13H,4,7-11H2,(H,19,20);2-4,6-7,12H,5,8-10H2,1H3,(H,16,19).

What are the key properties of 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid?

Where does this data come from?

All data for 6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 157052505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).