ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane

C19H38N4O4 — CID 144965639

IUPACethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane
SMILESC1CCOCC1.CC.CNCC(=O)N1CCCC1.Cc1cnc[nH]1.O=CO
InChIInChI=1S/C7H14N2O.C5H10O.C4H6N2.C2H6.CH2O2/c1-8-6-7(10)9-4-2-3-5-9;1-2-4-6-5-3-1;1-4-2-5-3-6-4;1-2;2-1-3/h8H,2-6H2,1H3;1-5H2;2-3H,1H3,(H,5,6);1-2H3;1H,(H,2,3)
InChIKeyFZDNVACNTVOATG-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.46
Rot. Bonds2

About ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane

ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane (PubChem CID 144965639) has the molecular formula C19H38N4O4 and a molecular weight of 386.54 g/mol. Its IUPAC name is ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane.

Molecular Properties

Compound Nameethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane
PubChem CID144965639
Molecular FormulaC19H38N4O4
Molecular Weight386.54 g/mol
Exact Mass386.29
IUPAC Nameethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane
SMILESC1CCOCC1.CC.CNCC(=O)N1CCCC1.Cc1cnc[nH]1.O=CO
InChIInChI=1S/C7H14N2O.C5H10O.C4H6N2.C2H6.CH2O2/c1-8-6-7(10)9-4-2-3-5-9;1-2-4-6-5-3-1;1-4-2-5-3-6-4;1-2;2-1-3/h8H,2-6H2,1H3;1-5H2;2-3H,1H3,(H,5,6);1-2H3;1H,(H,2,3)
InChIKeyFZDNVACNTVOATG-UHFFFAOYSA-N
XLogP2.46
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane
CID 144680009
3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 112688781
3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
N-(3-oxo-3-piperidin-1-ylpropyl)-1H-imidazole-5-sulfonamide
CID 115627036
2-[(2,5-dimethylpyrrol-1-yl)amino]-1-piperidin-1-ylethanone
CID 79101273
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
formaldehyde;methane;2-(methylamino)-1-pyrrolidin-1-ylethanone;methyl formate;propane
CID 145420616
1-[2-(methylamino)acetyl]piperidin-4-one
CID 110479082
5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
CID 112690581
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112686233

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane?
The IUPAC name of ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane (CID 144965639) is ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane.
What is the SMILES notation for ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane?
The canonical SMILES for ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane is C1CCOCC1.CC.CNCC(=O)N1CCCC1.Cc1cnc[nH]1.O=CO.
What is the InChIKey of ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane?
The InChIKey is FZDNVACNTVOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C5H10O.C4H6N2.C2H6.CH2O2/c1-8-6-7(10)9-4-2-3-5-9;1-2-4-6-5-3-1;1-4-2-5-3-6-4;1-2;2-1-3/h8H,2-6H2,1H3;1-5H2;2-3H,1H3,(H,5,6);1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane?
ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane has a molecular weight of 386.54 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane is sourced from PubChem (CID 144965639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).