N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide

C30H58N4O2 — CID 59864047

IUPACN-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCCNCCNCCCNC(=O)CCCCCCCCC=C
InChIInChI=1S/C30H58N4O2/c1-3-5-7-9-11-13-15-17-21-29(35)33-25-19-23-31-27-28-32-24-20-26-34-30(36)22-18-16-14-12-10-8-6-4-2/h3-4,31-32H,1-2,5-28H2,(H,33,35)(H,34,36)
InChIKeyKUVNZSPDZULPCD-UHFFFAOYSA-N
MW506.82 g/mol
LogP5.79
Rot. Bonds29

About N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide

N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide (PubChem CID 59864047) has the molecular formula C30H58N4O2 and a molecular weight of 506.82 g/mol. Its IUPAC name is N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide.

Molecular Properties

Compound NameN-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
PubChem CID59864047
Molecular FormulaC30H58N4O2
Molecular Weight506.82 g/mol
Exact Mass506.46
IUPAC NameN-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCCNCCNCCCNC(=O)CCCCCCCCC=C
InChIInChI=1S/C30H58N4O2/c1-3-5-7-9-11-13-15-17-21-29(35)33-25-19-23-31-27-28-32-24-20-26-34-30(36)22-18-16-14-12-10-8-6-4-2/h3-4,31-32H,1-2,5-28H2,(H,33,35)(H,34,36)
InChIKeyKUVNZSPDZULPCD-UHFFFAOYSA-N
XLogP5.79
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.82
LogP ≤ 55.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
CID 71392102
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
3-(dec-9-enoylamino)propyl-hydroxy-dimethylazanium;3-(dec-9-enoylamino)propyl-trimethylazanium
CID 160759465
3-(hept-6-enylamino)propanamide
CID 107006585
N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide
CID 156612713
2-(undec-10-enoylamino)ethyl dihydrogen phosphate
CID 10380486
dimethyl-bis[(oct-7-enoylamino)methyl]azanium
CID 102117908
N-(2-phenylethyl)undec-10-enamide
CID 3930064
(Z)-N-[3-[[(Z)-10-oxoheptacos-18-enyl]amino]propyl]octadec-9-enamide
CID 149363238
N-[2-(ethylidenecarbamothioylamino)ethyl]undec-10-enamide
CID 141055788
N-[3-(2-hydroxyethylamino)propyl]docosanamide
CID 87068513

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide?
The IUPAC name of N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide (CID 59864047) is N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide.
What is the SMILES notation for N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide?
The canonical SMILES for N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide is C=CCCCCCCCCC(=O)NCCCNCCNCCCNC(=O)CCCCCCCCC=C.
What is the InChIKey of N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide?
The InChIKey is KUVNZSPDZULPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58N4O2/c1-3-5-7-9-11-13-15-17-21-29(35)33-25-19-23-31-27-28-32-24-20-26-34-30(36)22-18-16-14-12-10-8-6-4-2/h3-4,31-32H,1-2,5-28H2,(H,33,35)(H,34,36).
What are the key properties of N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide?
N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide has a molecular weight of 506.82 g/mol, XLogP of 5.79, 29 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide is sourced from PubChem (CID 59864047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).