1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

C42H69N11O7 — CID 158449922

IUPAC1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1C(=O)NC(C)C.CC(=O)NCC(=O)N1CCCC1c1cnc(C(C)(C)C)[nH]1.CC(=O)NCC(=O)N1CCCC1c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/2C15H24N4O2.C12H21N3O3/c1-10(20)16-9-13(21)19-7-5-6-12(19)11-8-17-14(18-11)15(2,3)4;1-10(20)16-9-13(21)19-7-5-6-11(19)14-17-8-12(18-14)15(2,3)4;1-8(2)14-12(18)10-5-4-6-15(10)11(17)7-13-9(3)16/h8,12H,5-7,9H2,1-4H3,(H,16,20)(H,17,18);8,11H,5-7,9H2,1-4H3,(H,16,20)(H,17,18);8,10H,4-7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyHDVURMAKXSRUJB-UHFFFAOYSA-N
MW840.08 g/mol
LogP2.65
Rot. Bonds10

About 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 158449922) has the molecular formula C42H69N11O7 and a molecular weight of 840.08 g/mol. Its IUPAC name is 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID158449922
Molecular FormulaC42H69N11O7
Molecular Weight840.08 g/mol
Exact Mass839.54
IUPAC Name1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1C(=O)NC(C)C.CC(=O)NCC(=O)N1CCCC1c1cnc(C(C)(C)C)[nH]1.CC(=O)NCC(=O)N1CCCC1c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/2C15H24N4O2.C12H21N3O3/c1-10(20)16-9-13(21)19-7-5-6-12(19)11-8-17-14(18-11)15(2,3)4;1-10(20)16-9-13(21)19-7-5-6-11(19)14-17-8-12(18-14)15(2,3)4;1-8(2)14-12(18)10-5-4-6-15(10)11(17)7-13-9(3)16/h8,12H,5-7,9H2,1-4H3,(H,16,20)(H,17,18);8,11H,5-7,9H2,1-4H3,(H,16,20)(H,17,18);8,10H,4-7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyHDVURMAKXSRUJB-UHFFFAOYSA-N
XLogP2.65
TPSA234.69 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 52.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 59540175
(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 175507470
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70879602
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
methyl N-[1-[(2S)-2-[5-[4-[5-[2-[1-[2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-4-thiatricyclo[5.2.1.02,6]deca-2,5-dien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;propane
CID 144563530
2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide
CID 126658019
tert-butyl (2S)-2-[[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 99783192
tert-butyl 2-[5-[4-[4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]ethyl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66741530
(2S)-1-[2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 51056037
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
(3R)-1-[(2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 67682494

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 158449922) is 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC1C(=O)NC(C)C.CC(=O)NCC(=O)N1CCCC1c1cnc(C(C)(C)C)[nH]1.CC(=O)NCC(=O)N1CCCC1c1ncc(C(C)(C)C)[nH]1.
What is the InChIKey of 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is HDVURMAKXSRUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24N4O2.C12H21N3O3/c1-10(20)16-9-13(21)19-7-5-6-12(19)11-8-17-14(18-11)15(2,3)4;1-10(20)16-9-13(21)19-7-5-6-11(19)14-17-8-12(18-14)15(2,3)4;1-8(2)14-12(18)10-5-4-6-15(10)11(17)7-13-9(3)16/h8,12H,5-7,9H2,1-4H3,(H,16,20)(H,17,18);8,11H,5-7,9H2,1-4H3,(H,16,20)(H,17,18);8,10H,4-7H2,1-3H3,(H,13,16)(H,14,18).
What are the key properties of 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?
1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 840.08 g/mol, XLogP of 2.65, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 158449922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).