3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide

C22H45N3O5 — CID 178049904

IUPAC3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide
SMILESCCCNC(=O)CCOCC(COCCC)(COCCC(=O)NCCC)NC(C)C
InChIInChI=1S/C22H45N3O5/c1-6-11-23-20(26)9-14-29-17-22(25-19(4)5,16-28-13-8-3)18-30-15-10-21(27)24-12-7-2/h19,25H,6-18H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyAQXQEJJIDRESMP-UHFFFAOYSA-N
MW431.62 g/mol
LogP2.02
Rot. Bonds20

About 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide

3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide (PubChem CID 178049904) has the molecular formula C22H45N3O5 and a molecular weight of 431.62 g/mol. Its IUPAC name is 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide
PubChem CID178049904
Molecular FormulaC22H45N3O5
Molecular Weight431.62 g/mol
Exact Mass431.34
IUPAC Name3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide
SMILESCCCNC(=O)CCOCC(COCCC)(COCCC(=O)NCCC)NC(C)C
InChIInChI=1S/C22H45N3O5/c1-6-11-23-20(26)9-14-29-17-22(25-19(4)5,16-28-13-8-3)18-30-15-10-21(27)24-12-7-2/h19,25H,6-18H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyAQXQEJJIDRESMP-UHFFFAOYSA-N
XLogP2.02
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide 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

3-[3-[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-propylpropanamide
CID 178061950
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
CID 143180051
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide?
The IUPAC name of 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide (CID 178049904) is 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide.
What is the SMILES notation for 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide?
The canonical SMILES for 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide is CCCNC(=O)CCOCC(COCCC)(COCCC(=O)NCCC)NC(C)C.
What is the InChIKey of 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide?
The InChIKey is AQXQEJJIDRESMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O5/c1-6-11-23-20(26)9-14-29-17-22(25-19(4)5,16-28-13-8-3)18-30-15-10-21(27)24-12-7-2/h19,25H,6-18H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide?
3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide has a molecular weight of 431.62 g/mol, XLogP of 2.02, 20 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide is sourced from PubChem (CID 178049904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).