ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide

C17H34N2O6 — CID 169159646

IUPACethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide
SMILESCC.COCCOCCC(=O)NCC(=O)NCCOCC(=O)C(C)C
InChIInChI=1S/C15H28N2O6.C2H6/c1-12(2)13(18)11-23-7-5-16-15(20)10-17-14(19)4-6-22-9-8-21-3;1-2/h12H,4-11H2,1-3H3,(H,16,20)(H,17,19);1-2H3
InChIKeyYIMWPHKBNUHJEF-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.54
Rot. Bonds14

About ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide

ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide (PubChem CID 169159646) has the molecular formula C17H34N2O6 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Nameethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide
PubChem CID169159646
Molecular FormulaC17H34N2O6
Molecular Weight362.47 g/mol
Exact Mass362.24
IUPAC Nameethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide
SMILESCC.COCCOCCC(=O)NCC(=O)NCCOCC(=O)C(C)C
InChIInChI=1S/C15H28N2O6.C2H6/c1-12(2)13(18)11-23-7-5-16-15(20)10-17-14(19)4-6-22-9-8-21-3;1-2/h12H,4-11H2,1-3H3,(H,16,20)(H,17,19);1-2H3
InChIKeyYIMWPHKBNUHJEF-UHFFFAOYSA-N
XLogP0.54
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide
CID 171556625
3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(3-methyl-2-oxobutoxy)ethyl]propanamide
CID 170223089
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
CID 170116965
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide?
The IUPAC name of ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide (CID 169159646) is ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide?
The canonical SMILES for ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide is CC.COCCOCCC(=O)NCC(=O)NCCOCC(=O)C(C)C.
What is the InChIKey of ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide?
The InChIKey is YIMWPHKBNUHJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6.C2H6/c1-12(2)13(18)11-23-7-5-16-15(20)10-17-14(19)4-6-22-9-8-21-3;1-2/h12H,4-11H2,1-3H3,(H,16,20)(H,17,19);1-2H3.
What are the key properties of ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide?
ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide has a molecular weight of 362.47 g/mol, XLogP of 0.54, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 169159646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).