ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide

C26H53N5O2 — CID 143494950

IUPACethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide
SMILESCC.CC.CCN1CCN(C)C1=O.CCc1ccccc1.CN.CNC(=O)N1CCCCC1
InChIInChI=1S/C8H10.C7H14N2O.C6H12N2O.2C2H6.CH5N/c1-2-8-6-4-3-5-7-8;1-8-7(10)9-5-3-2-4-6-9;1-3-8-5-4-7(2)6(8)9;3*1-2/h3-7H,2H2,1H3;2-6H2,1H3,(H,8,10);3-5H2,1-2H3;2*1-2H3;2H2,1H3
InChIKeyZRFBCWDKKIGTEY-UHFFFAOYSA-N
MW467.74 g/mol
LogP5.06
Rot. Bonds2

About ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide

ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide (PubChem CID 143494950) has the molecular formula C26H53N5O2 and a molecular weight of 467.74 g/mol. Its IUPAC name is ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Nameethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide
PubChem CID143494950
Molecular FormulaC26H53N5O2
Molecular Weight467.74 g/mol
Exact Mass467.42
IUPAC Nameethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide
SMILESCC.CC.CCN1CCN(C)C1=O.CCc1ccccc1.CN.CNC(=O)N1CCCCC1
InChIInChI=1S/C8H10.C7H14N2O.C6H12N2O.2C2H6.CH5N/c1-2-8-6-4-3-5-7-8;1-8-7(10)9-5-3-2-4-6-9;1-3-8-5-4-7(2)6(8)9;3*1-2/h3-7H,2H2,1H3;2-6H2,1H3,(H,8,10);3-5H2,1-2H3;2*1-2H3;2H2,1H3
InChIKeyZRFBCWDKKIGTEY-UHFFFAOYSA-N
XLogP5.06
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 159896332
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N-benzylazonane-1-carboxamide
CID 130689649
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CID 112689523
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CID 162277554
azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene
CID 162277645
1,4-dimethylpiperazine;ethane;ethylbenzene
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Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide?
The IUPAC name of ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide (CID 143494950) is ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide.
What is the SMILES notation for ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide?
The canonical SMILES for ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide is CC.CC.CCN1CCN(C)C1=O.CCc1ccccc1.CN.CNC(=O)N1CCCCC1.
What is the InChIKey of ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide?
The InChIKey is ZRFBCWDKKIGTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H14N2O.C6H12N2O.2C2H6.CH5N/c1-2-8-6-4-3-5-7-8;1-8-7(10)9-5-3-2-4-6-9;1-3-8-5-4-7(2)6(8)9;3*1-2/h3-7H,2H2,1H3;2-6H2,1H3,(H,8,10);3-5H2,1-2H3;2*1-2H3;2H2,1H3.
What are the key properties of ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide?
ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide has a molecular weight of 467.74 g/mol, XLogP of 5.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;1-ethyl-3-methylimidazolidin-2-one;methanamine;N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 143494950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).