butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide

C34H58N6O6 — CID 145401551

IUPACbutane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide
SMILESCC1CCCCN1C(=O)CNC(=O)CNC(=O)CNC=O.CCCC.CCCCCC(=O)NC.COn1cc(C)c2ccccc21
InChIInChI=1S/C13H22N4O4.C10H11NO.C7H15NO.C4H10/c1-10-4-2-3-5-17(10)13(21)8-16-12(20)7-15-11(19)6-14-9-18;1-8-7-11(12-2)10-6-4-3-5-9(8)10;1-3-4-5-6-7(9)8-2;1-3-4-2/h9-10H,2-8H2,1H3,(H,14,18)(H,15,19)(H,16,20);3-7H,1-2H3;3-6H2,1-2H3,(H,8,9);3-4H2,1-2H3
InChIKeyOULIILWJQROVSV-UHFFFAOYSA-N
MW646.87 g/mol
LogP3.49
Rot. Bonds13

About butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide

butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide (PubChem CID 145401551) has the molecular formula C34H58N6O6 and a molecular weight of 646.87 g/mol. Its IUPAC name is butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide.

Molecular Properties

Compound Namebutane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide
PubChem CID145401551
Molecular FormulaC34H58N6O6
Molecular Weight646.87 g/mol
Exact Mass646.44
IUPAC Namebutane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide
SMILESCC1CCCCN1C(=O)CNC(=O)CNC(=O)CNC=O.CCCC.CCCCCC(=O)NC.COn1cc(C)c2ccccc21
InChIInChI=1S/C13H22N4O4.C10H11NO.C7H15NO.C4H10/c1-10-4-2-3-5-17(10)13(21)8-16-12(20)7-15-11(19)6-14-9-18;1-8-7-11(12-2)10-6-4-3-5-9(8)10;1-3-4-5-6-7(9)8-2;1-3-4-2/h9-10H,2-8H2,1H3,(H,14,18)(H,15,19)(H,16,20);3-7H,1-2H3;3-6H2,1-2H3,(H,8,9);3-4H2,1-2H3
InChIKeyOULIILWJQROVSV-UHFFFAOYSA-N
XLogP3.49
TPSA150.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.87
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide with MolForge

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Related Compounds

1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
methyl (2S)-1-[2-[[2-(decanoylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylate
CID 22294726
2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde
CID 7098941
2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95286390
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene
CID 142101459
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
CID 98572904
1-[2-(4-phenoxybutanoylamino)acetyl]pyrrolidine-2-carboxylic acid;toluene
CID 163225404
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
(E)-2-cyano-3-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 126207424
N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide
CID 99698305

Frequently Asked Questions

What is the IUPAC name of butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide?
The IUPAC name of butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide (CID 145401551) is butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide.
What is the SMILES notation for butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide?
The canonical SMILES for butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide is CC1CCCCN1C(=O)CNC(=O)CNC(=O)CNC=O.CCCC.CCCCCC(=O)NC.COn1cc(C)c2ccccc21.
What is the InChIKey of butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide?
The InChIKey is OULIILWJQROVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4.C10H11NO.C7H15NO.C4H10/c1-10-4-2-3-5-17(10)13(21)8-16-12(20)7-15-11(19)6-14-9-18;1-8-7-11(12-2)10-6-4-3-5-9(8)10;1-3-4-5-6-7(9)8-2;1-3-4-2/h9-10H,2-8H2,1H3,(H,14,18)(H,15,19)(H,16,20);3-7H,1-2H3;3-6H2,1-2H3,(H,8,9);3-4H2,1-2H3.
What are the key properties of butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide?
butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide has a molecular weight of 646.87 g/mol, XLogP of 3.49, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide is sourced from PubChem (CID 145401551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).