ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate

C21H39N3O5 — CID 90856999

IUPACethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate
SMILESCC.CCOCCOC(=O)N(CC(=O)N1CCCCC1)CC(=O)N1CCCCC1
InChIInChI=1S/C19H33N3O5.C2H6/c1-2-26-13-14-27-19(25)22(15-17(23)20-9-5-3-6-10-20)16-18(24)21-11-7-4-8-12-21;1-2/h2-16H2,1H3;1-2H3
InChIKeyIKIONOBPEBHKNX-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.51
Rot. Bonds8

About ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate

ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate (PubChem CID 90856999) has the molecular formula C21H39N3O5 and a molecular weight of 413.56 g/mol. Its IUPAC name is ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Nameethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate
PubChem CID90856999
Molecular FormulaC21H39N3O5
Molecular Weight413.56 g/mol
Exact Mass413.29
IUPAC Nameethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate
SMILESCC.CCOCCOC(=O)N(CC(=O)N1CCCCC1)CC(=O)N1CCCCC1
InChIInChI=1S/C19H33N3O5.C2H6/c1-2-26-13-14-27-19(25)22(15-17(23)20-9-5-3-6-10-20)16-18(24)21-11-7-4-8-12-21;1-2/h2-16H2,1H3;1-2H3
InChIKeyIKIONOBPEBHKNX-UHFFFAOYSA-N
XLogP2.51
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
2-(2-methoxyethoxy)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113220101
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955381
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
CID 78876077
ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 61224895
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997
1-(1,4-diazepan-1-yl)-2-(2-ethoxyethoxy)ethanone;hydrochloride
CID 119415045
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate?
The IUPAC name of ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate (CID 90856999) is ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate is CC.CCOCCOC(=O)N(CC(=O)N1CCCCC1)CC(=O)N1CCCCC1.
What is the InChIKey of ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate?
The InChIKey is IKIONOBPEBHKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O5.C2H6/c1-2-26-13-14-27-19(25)22(15-17(23)20-9-5-3-6-10-20)16-18(24)21-11-7-4-8-12-21;1-2/h2-16H2,1H3;1-2H3.
What are the key properties of ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate?
ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate has a molecular weight of 413.56 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 90856999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).