ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide

C17H33N3O2 — CID 143391135

IUPACethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide
SMILESCC.CC(=O)NC(CC(C)C)C(=O)N1CCC2NC(C)CC21
InChIInChI=1S/C15H27N3O2.C2H6/c1-9(2)7-13(17-11(4)19)15(20)18-6-5-12-14(18)8-10(3)16-12;1-2/h9-10,12-14,16H,5-8H2,1-4H3,(H,17,19);1-2H3
InChIKeyADCZHTPPVIFRQQ-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.91
Rot. Bonds4

About ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide

ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide (PubChem CID 143391135) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide
PubChem CID143391135
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nameethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide
SMILESCC.CC(=O)NC(CC(C)C)C(=O)N1CCC2NC(C)CC21
InChIInChI=1S/C15H27N3O2.C2H6/c1-9(2)7-13(17-11(4)19)15(20)18-6-5-12-14(18)8-10(3)16-12;1-2/h9-10,12-14,16H,5-8H2,1-4H3,(H,17,19);1-2H3
InChIKeyADCZHTPPVIFRQQ-UHFFFAOYSA-N
XLogP1.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide with MolForge

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Related Compounds

N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769970
N-[1-[1-(2-amino-4-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]-5-methyl-1-oxohexan-2-yl]acetamide
CID 68892574
N-[(2S)-1-[(6S,6aS)-6-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-tert-butylbenzamide
CID 68959475
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
CID 16682389
N-[(2S)-1-[4-[(2S)-2-acetamidopentanoyl]-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(dimethylamino)benzamide
CID 68958337
N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide
CID 118762858
acetylene;tert-butyl N-[(2S)-1-[(2S)-2,6-dimethyl-1,5-oxazocan-5-yl]-4-methyl-1-oxopentan-2-yl]carbamate;ethene
CID 143075053
bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)
CID 131887682
(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]ethyl]pyrrolidine-2-carboxamide
CID 101048122

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide?
The IUPAC name of ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide (CID 143391135) is ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide?
The canonical SMILES for ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide is CC.CC(=O)NC(CC(C)C)C(=O)N1CCC2NC(C)CC21.
What is the InChIKey of ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide?
The InChIKey is ADCZHTPPVIFRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.C2H6/c1-9(2)7-13(17-11(4)19)15(20)18-6-5-12-14(18)8-10(3)16-12;1-2/h9-10,12-14,16H,5-8H2,1-4H3,(H,17,19);1-2H3.
What are the key properties of ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide?
ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide has a molecular weight of 311.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-methyl-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 143391135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).