2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide

C23H37N5O4 — CID 163685105

IUPAC2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)NC(CC1CC1)C(=O)NC(C#N)CC1CC(C)(C)NC1=O)C(C)(C)C
InChIInChI=1S/C23H37N5O4/c1-13(29)25-18(22(2,3)4)21(32)27-17(9-14-7-8-14)20(31)26-16(12-24)10-15-11-23(5,6)28-19(15)30/h14-18H,7-11H2,1-6H3,(H,25,29)(H,26,31)(H,27,32)(H,28,30)
InChIKeyJOEPEZMMESUUGU-UHFFFAOYSA-N
MW447.58 g/mol
LogP1.14
Rot. Bonds9

About 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide

2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide (PubChem CID 163685105) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
PubChem CID163685105
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC Name2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)NC(CC1CC1)C(=O)NC(C#N)CC1CC(C)(C)NC1=O)C(C)(C)C
InChIInChI=1S/C23H37N5O4/c1-13(29)25-18(22(2,3)4)21(32)27-17(9-14-7-8-14)20(31)26-16(12-24)10-15-11-23(5,6)28-19(15)30/h14-18H,7-11H2,1-6H3,(H,25,29)(H,26,31)(H,27,32)(H,28,30)
InChIKeyJOEPEZMMESUUGU-UHFFFAOYSA-N
XLogP1.14
TPSA140.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

(2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 163476419
N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 168834305
2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
CID 163606826
N-[1-[[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 167482053
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate
CID 166893082
N-[1-[[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 162479306
(2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoic acid
CID 175458218
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 166611623
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoate
CID 162479406
(2S)-N-[(2S)-1-[[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166494936
(2S)-2-tert-butyl-N-[(2S)-1-[[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-(2,2-difluoro-1-methylcyclopropyl)-1-oxopropan-2-yl]-5,5,5-trifluoro-4-oxopentanamide
CID 163743162
7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-1H-indole-2-carboxamide
CID 166840673

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide (CID 163685105) is 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide is CC(=O)NC(C(=O)NC(CC1CC1)C(=O)NC(C#N)CC1CC(C)(C)NC1=O)C(C)(C)C.
What is the InChIKey of 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is JOEPEZMMESUUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-13(29)25-18(22(2,3)4)21(32)27-17(9-14-7-8-14)20(31)26-16(12-24)10-15-11-23(5,6)28-19(15)30/h14-18H,7-11H2,1-6H3,(H,25,29)(H,26,31)(H,27,32)(H,28,30).
What are the key properties of 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 447.58 g/mol, XLogP of 1.14, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 163685105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).