5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one

C16H31NO5 — CID 142398269

IUPAC5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
SMILESC=CC(=O)CCOCCOCCOCCOCCNC(C)C
InChIInChI=1S/C16H31NO5/c1-4-16(18)5-7-19-9-11-21-13-14-22-12-10-20-8-6-17-15(2)3/h4,15,17H,1,5-14H2,2-3H3
InChIKeyVMAFCEXIRMXAEX-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.20
Rot. Bonds17

About 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one

5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one (PubChem CID 142398269) has the molecular formula C16H31NO5 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one.

Molecular Properties

Compound Name5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
PubChem CID142398269
Molecular FormulaC16H31NO5
Molecular Weight317.43 g/mol
Exact Mass317.22
IUPAC Name5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
SMILESC=CC(=O)CCOCCOCCOCCOCCNC(C)C
InChIInChI=1S/C16H31NO5/c1-4-16(18)5-7-19-9-11-21-13-14-22-12-10-20-8-6-17-15(2)3/h4,15,17H,1,5-14H2,2-3H3
InChIKeyVMAFCEXIRMXAEX-UHFFFAOYSA-N
XLogP1.20
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 90191283
5-(2-methylpropoxy)pent-1-en-3-one
CID 161282003
5-[3-(methylamino)propoxy]pent-1-en-3-one
CID 90191317
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one?
The IUPAC name of 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one (CID 142398269) is 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one.
What is the SMILES notation for 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one?
The canonical SMILES for 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one is C=CC(=O)CCOCCOCCOCCOCCNC(C)C.
What is the InChIKey of 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one?
The InChIKey is VMAFCEXIRMXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO5/c1-4-16(18)5-7-19-9-11-21-13-14-22-12-10-20-8-6-17-15(2)3/h4,15,17H,1,5-14H2,2-3H3.
What are the key properties of 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one?
5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one has a molecular weight of 317.43 g/mol, XLogP of 1.20, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one is sourced from PubChem (CID 142398269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).