N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide

C19H36N2O6 — CID 146262899

IUPACN-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide
SMILESCC(=O)CCOCC(C)(COCCC(C)=O)COCCC(=O)NCCCN
InChIInChI=1S/C19H36N2O6/c1-16(22)5-10-25-13-19(3,14-26-11-6-17(2)23)15-27-12-7-18(24)21-9-4-8-20/h4-15,20H2,1-3H3,(H,21,24)
InChIKeyUUMXWKKTXORAJB-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.86
Rot. Bonds18

About N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide

N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide (PubChem CID 146262899) has the molecular formula C19H36N2O6 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide
PubChem CID146262899
Molecular FormulaC19H36N2O6
Molecular Weight388.51 g/mol
Exact Mass388.26
IUPAC NameN-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide
SMILESCC(=O)CCOCC(C)(COCCC(C)=O)COCCC(=O)NCCCN
InChIInChI=1S/C19H36N2O6/c1-16(22)5-10-25-13-19(3,14-26-11-6-17(2)23)15-27-12-7-18(24)21-9-4-8-20/h4-15,20H2,1-3H3,(H,21,24)
InChIKeyUUMXWKKTXORAJB-UHFFFAOYSA-N
XLogP0.86
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide 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-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
8-[3-[2-[[3-(7-carboxyheptylamino)-3-oxopropoxy]methyl]-3-(3,12-dioxotridecoxy)-2-methylpropoxy]propanoylamino]octanoic acid
CID 157167737
3-[2-amino-3-[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propoxy]propanamide
CID 138730756
8-[8-[3-[3-[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]octanoylamino]octanoic acid
CID 118440203
N-(3-aminopropyl)-3-[2,2-bis[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]-3-azidopropoxy]propanamide
CID 170227083
3-[2-(4-aminobutylcarbamoylamino)-3-[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propoxy]-N-(3-aminopropyl)propanamide
CID 101204314
8-[3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]octanoic acid
CID 118440317
3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide
CID 167044215
N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
CID 134387196
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
N-[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]-N'-hydroxydodecanediamide
CID 170005572

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide?
The IUPAC name of N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide (CID 146262899) is N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide is CC(=O)CCOCC(C)(COCCC(C)=O)COCCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide?
The InChIKey is UUMXWKKTXORAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O6/c1-16(22)5-10-25-13-19(3,14-26-11-6-17(2)23)15-27-12-7-18(24)21-9-4-8-20/h4-15,20H2,1-3H3,(H,21,24).
What are the key properties of N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide?
N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide has a molecular weight of 388.51 g/mol, XLogP of 0.86, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[2-methyl-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]propanamide is sourced from PubChem (CID 146262899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).