N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen

C44H103N3O15 — CID 168986443

IUPACN-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
SMILESC.C.CC.CC.CC.CCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCC)NC(=O)CCOCCOCCOCCOCC.[H][H].[H][H].[H][H]
InChIInChI=1S/C36H71N3O15.3C2H6.2CH4.3H2/c1-4-43-17-20-49-27-24-47-15-10-37-34(40)7-13-53-31-33(39-36(42)9-12-46-23-26-52-30-29-51-22-19-45-6-3)32-54-14-8-35(41)38-11-16-48-25-28-50-21-18-44-5-2;3*1-2;;;;;/h33H,4-32H2,1-3H3,(H,37,40)(H,38,41)(H,39,42);3*1-2H3;2*1H4;3*1H
InChIKeyCNTYCRUPHJWJBM-UHFFFAOYSA-N
MW914.31 g/mol
LogP5.22
Rot. Bonds44

About N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen

N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen (PubChem CID 168986443) has the molecular formula C44H103N3O15 and a molecular weight of 914.31 g/mol. Its IUPAC name is N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen.

Molecular Properties

Compound NameN-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
PubChem CID168986443
Molecular FormulaC44H103N3O15
Molecular Weight914.31 g/mol
Exact Mass913.74
IUPAC NameN-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
SMILESC.C.CC.CC.CC.CCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCC)NC(=O)CCOCCOCCOCCOCC.[H][H].[H][H].[H][H]
InChIInChI=1S/C36H71N3O15.3C2H6.2CH4.3H2/c1-4-43-17-20-49-27-24-47-15-10-37-34(40)7-13-53-31-33(39-36(42)9-12-46-23-26-52-30-29-51-22-19-45-6-3)32-54-14-8-35(41)38-11-16-48-25-28-50-21-18-44-5-2;3*1-2;;;;;/h33H,4-32H2,1-3H3,(H,37,40)(H,38,41)(H,39,42);3*1-2H3;2*1H4;3*1H
InChIKeyCNTYCRUPHJWJBM-UHFFFAOYSA-N
XLogP5.22
TPSA198.06 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds44
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500914.31
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide
CID 177221839
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 176825441
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide
CID 146673145
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]propan-2-yl]propanamide
CID 164702946
(Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane
CID 171558127

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen?
The IUPAC name of N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen (CID 168986443) is N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen.
What is the SMILES notation for N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen?
The canonical SMILES for N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen is C.C.CC.CC.CC.CCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCC)NC(=O)CCOCCOCCOCCOCC.[H][H].[H][H].[H][H].
What is the InChIKey of N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen?
The InChIKey is CNTYCRUPHJWJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H71N3O15.3C2H6.2CH4.3H2/c1-4-43-17-20-49-27-24-47-15-10-37-34(40)7-13-53-31-33(39-36(42)9-12-46-23-26-52-30-29-51-22-19-45-6-3)32-54-14-8-35(41)38-11-16-48-25-28-50-21-18-44-5-2;3*1-2;;;;;/h33H,4-32H2,1-3H3,(H,37,40)(H,38,41)(H,39,42);3*1-2H3;2*1H4;3*1H.
What are the key properties of N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen?
N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen has a molecular weight of 914.31 g/mol, XLogP of 5.22, 44 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen is sourced from PubChem (CID 168986443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).