3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide

C20H43N3O5 — CID 168959857

IUPAC3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide
SMILESCCCNCCCNC(=O)CCOCCOCCOCCOCCNC(C)C
InChIInChI=1S/C20H43N3O5/c1-4-7-21-8-5-9-23-20(24)6-11-25-13-15-27-17-18-28-16-14-26-12-10-22-19(2)3/h19,21-22H,4-18H2,1-3H3,(H,23,24)
InChIKeyYKVBCMCHFRPKPY-UHFFFAOYSA-N
MW405.58 g/mol
LogP0.95
Rot. Bonds22

About 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide

3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide (PubChem CID 168959857) has the molecular formula C20H43N3O5 and a molecular weight of 405.58 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide
PubChem CID168959857
Molecular FormulaC20H43N3O5
Molecular Weight405.58 g/mol
Exact Mass405.32
IUPAC Name3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide
SMILESCCCNCCCNC(=O)CCOCCOCCOCCOCCNC(C)C
InChIInChI=1S/C20H43N3O5/c1-4-7-21-8-5-9-23-20(24)6-11-25-13-15-27-17-18-28-16-14-26-12-10-22-19(2)3/h19,21-22H,4-18H2,1-3H3,(H,23,24)
InChIKeyYKVBCMCHFRPKPY-UHFFFAOYSA-N
XLogP0.95
TPSA90.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
N-ethyl-3-[3-(propan-2-ylamino)propoxy]propanamide
CID 62342053
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
N-[2-[2-[2-[3-oxo-3-[2-(propan-2-ylamino)ethylamino]propoxy]ethoxy]ethoxy]ethyl]-3-sulfanylbutanamide
CID 167310634
3-[3-[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-propylpropanamide
CID 178061950
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide?
The IUPAC name of 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide (CID 168959857) is 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide?
The canonical SMILES for 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide is CCCNCCCNC(=O)CCOCCOCCOCCOCCNC(C)C.
What is the InChIKey of 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide?
The InChIKey is YKVBCMCHFRPKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N3O5/c1-4-7-21-8-5-9-23-20(24)6-11-25-13-15-27-17-18-28-16-14-26-12-10-22-19(2)3/h19,21-22H,4-18H2,1-3H3,(H,23,24).
What are the key properties of 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide?
3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide has a molecular weight of 405.58 g/mol, XLogP of 0.95, 22 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide is sourced from PubChem (CID 168959857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).