(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide

C25H47N3O3 — CID 101285798

IUPAC(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
SMILESCCCCC/C=C/C(=O)NCCCN(CCCO)CCCNC(=O)/C=C/CCCCC
InChIInChI=1S/C25H47N3O3/c1-3-5-7-9-11-16-24(30)26-18-13-20-28(22-15-23-29)21-14-19-27-25(31)17-12-10-8-6-4-2/h11-12,16-17,29H,3-10,13-15,18-23H2,1-2H3,(H,26,30)(H,27,31)/b16-11+,17-12+
InChIKeyZREAWUCCWPOARP-MAEUFBSDSA-N
MW437.67 g/mol
LogP3.96
Rot. Bonds21

About (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide

(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide (PubChem CID 101285798) has the molecular formula C25H47N3O3 and a molecular weight of 437.67 g/mol. Its IUPAC name is (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
PubChem CID101285798
Molecular FormulaC25H47N3O3
Molecular Weight437.67 g/mol
Exact Mass437.36
IUPAC Name(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
SMILESCCCCC/C=C/C(=O)NCCCN(CCCO)CCCNC(=O)/C=C/CCCCC
InChIInChI=1S/C25H47N3O3/c1-3-5-7-9-11-16-24(30)26-18-13-20-28(22-15-23-29)21-14-19-27-25(31)17-12-10-8-6-4-2/h11-12,16-17,29H,3-10,13-15,18-23H2,1-2H3,(H,26,30)(H,27,31)/b16-11+,17-12+
InChIKeyZREAWUCCWPOARP-MAEUFBSDSA-N
XLogP3.96
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.67
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide with MolForge

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Related Compounds

(E)-N-[3-(diethylamino)propyl]dec-2-enamide
CID 86694810
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
(E)-N-butyldec-2-enamide
CID 160628271
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-2-enoyl]amino]propyl]amino]propan-2-yl]non-2-enamide
CID 101285823
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
3-[[(E)-oct-2-enoyl]amino]propane-1-sulfonic acid
CID 101283798
3-[bis[(Z)-octadec-9-enyl]amino]propan-1-ol;hydrochloride
CID 175960878
4-[[(E)-dodec-2-enoyl]amino]butane-1-sulfonic acid
CID 101284524

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide?
The IUPAC name of (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide (CID 101285798) is (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide.
What is the SMILES notation for (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide?
The canonical SMILES for (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide is CCCCC/C=C/C(=O)NCCCN(CCCO)CCCNC(=O)/C=C/CCCCC.
What is the InChIKey of (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide?
The InChIKey is ZREAWUCCWPOARP-MAEUFBSDSA-N. The full InChI is InChI=1S/C25H47N3O3/c1-3-5-7-9-11-16-24(30)26-18-13-20-28(22-15-23-29)21-14-19-27-25(31)17-12-10-8-6-4-2/h11-12,16-17,29H,3-10,13-15,18-23H2,1-2H3,(H,26,30)(H,27,31)/b16-11+,17-12+.
What are the key properties of (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide?
(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide has a molecular weight of 437.67 g/mol, XLogP of 3.96, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide is sourced from PubChem (CID 101285798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).