butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane

C37H73N5O7S — CID 143106254

IUPACbutane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane
SMILESCC.CC.CC.CC(C)C.CCCC.O=C(NCC(=O)N1CCCC1C(=O)NCC(=O)C(=O)NC1CC1)NC1(C2CCS2(=O)=O)CCCCC1
InChIInChI=1S/C23H35N5O7S.2C4H10.3C2H6/c29-17(21(32)26-15-6-7-15)13-24-20(31)16-5-4-11-28(16)19(30)14-25-22(33)27-23(9-2-1-3-10-23)18-8-12-36(18,34)35;1-4(2)3;1-3-4-2;3*1-2/h15-16,18H,1-14H2,(H,24,31)(H,26,32)(H2,25,27,33);4H,1-3H3;3-4H2,1-2H3;3*1-2H3
InChIKeyAKWAISZAPZIACG-UHFFFAOYSA-N
MW732.09 g/mol
LogP5.68
Rot. Bonds10

About butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane

butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane (PubChem CID 143106254) has the molecular formula C37H73N5O7S and a molecular weight of 732.09 g/mol. Its IUPAC name is butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane.

Molecular Properties

Compound Namebutane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane
PubChem CID143106254
Molecular FormulaC37H73N5O7S
Molecular Weight732.09 g/mol
Exact Mass731.52
IUPAC Namebutane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane
SMILESCC.CC.CC.CC(C)C.CCCC.O=C(NCC(=O)N1CCCC1C(=O)NCC(=O)C(=O)NC1CC1)NC1(C2CCS2(=O)=O)CCCCC1
InChIInChI=1S/C23H35N5O7S.2C4H10.3C2H6/c29-17(21(32)26-15-6-7-15)13-24-20(31)16-5-4-11-28(16)19(30)14-25-22(33)27-23(9-2-1-3-10-23)18-8-12-36(18,34)35;1-4(2)3;1-3-4-2;3*1-2/h15-16,18H,1-14H2,(H,24,31)(H,26,32)(H2,25,27,33);4H,1-3H3;3-4H2,1-2H3;3*1-2H3
InChIKeyAKWAISZAPZIACG-UHFFFAOYSA-N
XLogP5.68
TPSA170.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.09
LogP ≤ 55.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane with MolForge

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Related Compounds

(2S)-N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[(2S)-2-[[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 71057636
butane;1-[2-(cyclohexylcarbamoylamino)-3-methylbutanoyl]-N-[3-(cyclopropylamino)-2,3-dioxopropyl]pyrrolidine-2-carboxamide;1-methylidenethiolane 1-oxide
CID 143106150
1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide
CID 143025390
(2S)-N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[(2S)-2-formamido-2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide
CID 145490279
[1-[[(1S)-2-[(2S)-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]carbamoylamino]cyclohexyl]methanesulfinate
CID 145490341
[1-[[(2S)-1-[(2S)-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexyl]methanesulfinic acid
CID 71057854
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833402
(2S)-1-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(1S,2R)-2-ethylcyclopropyl]pyrrolidine-2-carboxamide
CID 70275718
[1-[[[[(2S)-1-[(2S)-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-hydroxymethyl]amino]cyclohexyl]methanesulfinic acid
CID 145490301
(2S)-N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[(2S)-2-(1-methylcyclohexyl)-2-[[1-(morpholin-4-ylsulfonylmethyl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide
CID 71057813
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
(2S)-N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[(2S)-2-(1-methylcyclohexyl)-2-[[1-[[methyl-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide
CID 71057794

Frequently Asked Questions

What is the IUPAC name of butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane?
The IUPAC name of butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane (CID 143106254) is butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane.
What is the SMILES notation for butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane?
The canonical SMILES for butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane is CC.CC.CC.CC(C)C.CCCC.O=C(NCC(=O)N1CCCC1C(=O)NCC(=O)C(=O)NC1CC1)NC1(C2CCS2(=O)=O)CCCCC1.
What is the InChIKey of butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane?
The InChIKey is AKWAISZAPZIACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O7S.2C4H10.3C2H6/c29-17(21(32)26-15-6-7-15)13-24-20(31)16-5-4-11-28(16)19(30)14-25-22(33)27-23(9-2-1-3-10-23)18-8-12-36(18,34)35;1-4(2)3;1-3-4-2;3*1-2/h15-16,18H,1-14H2,(H,24,31)(H,26,32)(H2,25,27,33);4H,1-3H3;3-4H2,1-2H3;3*1-2H3.
What are the key properties of butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane?
butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane has a molecular weight of 732.09 g/mol, XLogP of 5.68, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane is sourced from PubChem (CID 143106254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).