N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide

C22H44N6O4 — CID 129308455

IUPACN-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCNC(=O)CC)CCN(CCNC(=O)CC)CCNC(=O)CC
InChIInChI=1S/C22H44N6O4/c1-5-19(29)23-9-13-27(14-10-24-20(30)6-2)17-18-28(15-11-25-21(31)7-3)16-12-26-22(32)8-4/h5-18H2,1-4H3,(H,23,29)(H,24,30)(H,25,31)(H,26,32)
InChIKeyZDZRAKBNYSMIND-UHFFFAOYSA-N
MW456.63 g/mol
LogP-0.30
Rot. Bonds19

About N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide

N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide (PubChem CID 129308455) has the molecular formula C22H44N6O4 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
PubChem CID129308455
Molecular FormulaC22H44N6O4
Molecular Weight456.63 g/mol
Exact Mass456.34
IUPAC NameN-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCNC(=O)CC)CCN(CCNC(=O)CC)CCNC(=O)CC
InChIInChI=1S/C22H44N6O4/c1-5-19(29)23-9-13-27(14-10-24-20(30)6-2)17-18-28(15-11-25-21(31)7-3)16-12-26-22(32)8-4/h5-18H2,1-4H3,(H,23,29)(H,24,30)(H,25,31)(H,26,32)
InChIKeyZDZRAKBNYSMIND-UHFFFAOYSA-N
XLogP-0.30
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]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

N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908
2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide
CID 59349236
N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide
CID 146519254
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]propanamide
CID 113053508
N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide
CID 156706251
N-(2-phosphanylethyl)propanamide
CID 146644677
ethane;N-undecylpropanamide
CID 155706114
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide?
The IUPAC name of N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide (CID 129308455) is N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide is CCC(=O)NCCN(CCNC(=O)CC)CCN(CCNC(=O)CC)CCNC(=O)CC.
What is the InChIKey of N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide?
The InChIKey is ZDZRAKBNYSMIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N6O4/c1-5-19(29)23-9-13-27(14-10-24-20(30)6-2)17-18-28(15-11-25-21(31)7-3)16-12-26-22(32)8-4/h5-18H2,1-4H3,(H,23,29)(H,24,30)(H,25,31)(H,26,32).
What are the key properties of N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide?
N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide has a molecular weight of 456.63 g/mol, XLogP of -0.30, 19 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide is sourced from PubChem (CID 129308455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).