ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide

C16H34N2O4 — CID 166081207

IUPACethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
SMILESCC.CCCC(=O)NCCOCCOCCC(=O)NC(C)C
InChIInChI=1S/C14H28N2O4.C2H6/c1-4-5-13(17)15-7-9-20-11-10-19-8-6-14(18)16-12(2)3;1-2/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18);1-2H3
InChIKeyDMTLTYLIMOQUAQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.88
Rot. Bonds12

About ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide

ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide (PubChem CID 166081207) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Nameethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
PubChem CID166081207
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC Nameethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
SMILESCC.CCCC(=O)NCCOCCOCCC(=O)NC(C)C
InChIInChI=1S/C14H28N2O4.C2H6/c1-4-5-13(17)15-7-9-20-11-10-19-8-6-14(18)16-12(2)3;1-2/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18);1-2H3
InChIKeyDMTLTYLIMOQUAQ-UHFFFAOYSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
ethane;N-propan-2-ylbutanamide
CID 169175258
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide?
The IUPAC name of ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide (CID 166081207) is ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide is CC.CCCC(=O)NCCOCCOCCC(=O)NC(C)C.
What is the InChIKey of ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide?
The InChIKey is DMTLTYLIMOQUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4.C2H6/c1-4-5-13(17)15-7-9-20-11-10-19-8-6-14(18)16-12(2)3;1-2/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18);1-2H3.
What are the key properties of ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide?
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide has a molecular weight of 318.46 g/mol, XLogP of 1.88, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 166081207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).