ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide

C39H69N7O6 — CID 143024951

IUPACethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide
SMILESC=CCNC=O.CC.CC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1C.CCC.CCCCCC
InChIInChI=1S/C24H34N6O5.C6H14.C4H7NO.C3H8.C2H6/c1-15-6-3-4-7-17(15)21(29-22(33)18-13-25-9-10-26-18)24(35)28-14-20(32)30-11-5-8-19(30)23(34)27-12-16(2)31;1-3-5-6-4-2;1-2-3-5-4-6;1-3-2;1-2/h9-10,13,15,17,19,21H,3-8,11-12,14H2,1-2H3,(H,27,34)(H,28,35)(H,29,33);3-6H2,1-2H3;2,4H,1,3H2,(H,5,6);3H2,1-2H3;1-2H3
InChIKeyZNLFHWNMUKWVMU-UHFFFAOYSA-N
MW732.02 g/mol
LogP5.16
Rot. Bonds15

About ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide

ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide (PubChem CID 143024951) has the molecular formula C39H69N7O6 and a molecular weight of 732.02 g/mol. Its IUPAC name is ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide.

Molecular Properties

Compound Nameethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide
PubChem CID143024951
Molecular FormulaC39H69N7O6
Molecular Weight732.02 g/mol
Exact Mass731.53
IUPAC Nameethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide
SMILESC=CCNC=O.CC.CC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1C.CCC.CCCCCC
InChIInChI=1S/C24H34N6O5.C6H14.C4H7NO.C3H8.C2H6/c1-15-6-3-4-7-17(15)21(29-22(33)18-13-25-9-10-26-18)24(35)28-14-20(32)30-11-5-8-19(30)23(34)27-12-16(2)31;1-3-5-6-4-2;1-2-3-5-4-6;1-3-2;1-2/h9-10,13,15,17,19,21H,3-8,11-12,14H2,1-2H3,(H,27,34)(H,28,35)(H,29,33);3-6H2,1-2H3;2,4H,1,3H2,(H,5,6);3H2,1-2H3;1-2H3
InChIKeyZNLFHWNMUKWVMU-UHFFFAOYSA-N
XLogP5.16
TPSA179.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.02
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide with MolForge

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Related Compounds

N-[2-[[2-[2-[(1-amino-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
CID 143064089
N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
CID 143359859
N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 143063997
2-[[3-[[(2S)-1-[2-[[3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2-oxohexanoyl]amino]acetic acid
CID 142953192
N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 143353887
butane;N-[1-cyclohexyl-2-[[(1S)-2-[2-[[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]carbamoyl]pyrrolidin-1-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 143361107
1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane
CID 143064024
N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(2S,3R)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-3-(2-methylprop-1-enyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 143064110
N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane
CID 143031589
N-[(2S)-1-[[1-(2-formylpyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
CID 142118530
N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(2S,4S)-2-[[2-hydroxy-1-oxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 143064191
N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane
CID 144562797

Frequently Asked Questions

What is the IUPAC name of ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide?
The IUPAC name of ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide (CID 143024951) is ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide.
What is the SMILES notation for ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide?
The canonical SMILES for ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide is C=CCNC=O.CC.CC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1C.CCC.CCCCCC.
What is the InChIKey of ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide?
The InChIKey is ZNLFHWNMUKWVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O5.C6H14.C4H7NO.C3H8.C2H6/c1-15-6-3-4-7-17(15)21(29-22(33)18-13-25-9-10-26-18)24(35)28-14-20(32)30-11-5-8-19(30)23(34)27-12-16(2)31;1-3-5-6-4-2;1-2-3-5-4-6;1-3-2;1-2/h9-10,13,15,17,19,21H,3-8,11-12,14H2,1-2H3,(H,27,34)(H,28,35)(H,29,33);3-6H2,1-2H3;2,4H,1,3H2,(H,5,6);3H2,1-2H3;1-2H3.
What are the key properties of ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide?
ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide has a molecular weight of 732.02 g/mol, XLogP of 5.16, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;N-[1-(2-methylcyclohexyl)-2-oxo-2-[[2-oxo-2-[2-(2-oxopropylcarbamoyl)pyrrolidin-1-yl]ethyl]amino]ethyl]pyrazine-2-carboxamide;propane;N-prop-2-enylformamide is sourced from PubChem (CID 143024951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).