N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide

C18H39N5O2 — CID 101430189

IUPACN-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
SMILESCCCCCCCCN(CCC(=O)NCCN)CCC(=O)NCCN
InChIInChI=1S/C18H39N5O2/c1-2-3-4-5-6-7-14-23(15-8-17(24)21-12-10-19)16-9-18(25)22-13-11-20/h2-16,19-20H2,1H3,(H,21,24)(H,22,25)
InChIKeyLFVLHGMRNZXESP-UHFFFAOYSA-N
MW357.54 g/mol
LogP0.58
Rot. Bonds17

About N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide

N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide (PubChem CID 101430189) has the molecular formula C18H39N5O2 and a molecular weight of 357.54 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
PubChem CID101430189
Molecular FormulaC18H39N5O2
Molecular Weight357.54 g/mol
Exact Mass357.31
IUPAC NameN-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
SMILESCCCCCCCCN(CCC(=O)NCCN)CCC(=O)NCCN
InChIInChI=1S/C18H39N5O2/c1-2-3-4-5-6-7-14-23(15-8-17(24)21-12-10-19)16-9-18(25)22-13-11-20/h2-16,19-20H2,1H3,(H,21,24)(H,22,25)
InChIKeyLFVLHGMRNZXESP-UHFFFAOYSA-N
XLogP0.58
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
N-(2-aminoethyl)nonanamide
CID 13028008
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199
N-(2-aminoethyl)-4-[2-[[4-(2-aminoethylamino)-4-oxobutyl]-[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[3-(2-aminoethylamino)-3-oxopropyl]amino]butanamide
CID 163628502
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide (CID 101430189) is N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide is CCCCCCCCN(CCC(=O)NCCN)CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide?
The InChIKey is LFVLHGMRNZXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N5O2/c1-2-3-4-5-6-7-14-23(15-8-17(24)21-12-10-19)16-9-18(25)22-13-11-20/h2-16,19-20H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide?
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide has a molecular weight of 357.54 g/mol, XLogP of 0.58, 17 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide is sourced from PubChem (CID 101430189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).