(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide

C27H51N3O3 — CID 101285870

IUPAC(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide
SMILESCCCCC/C=C/CC(=O)NCC(C)N(CC(C)O)C(C)CNC(=O)C/C=C/CCCCC
InChIInChI=1S/C27H51N3O3/c1-6-8-10-12-14-16-18-26(32)28-20-23(3)30(22-25(5)31)24(4)21-29-27(33)19-17-15-13-11-9-7-2/h14-17,23-25,31H,6-13,18-22H2,1-5H3,(H,28,32)(H,29,33)/b16-14+,17-15+
InChIKeyCATKLTFAPSANOL-YXLFCKQPSA-N
MW465.72 g/mol
LogP4.73
Rot. Bonds20

About (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide

(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide (PubChem CID 101285870) has the molecular formula C27H51N3O3 and a molecular weight of 465.72 g/mol. Its IUPAC name is (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide
PubChem CID101285870
Molecular FormulaC27H51N3O3
Molecular Weight465.72 g/mol
Exact Mass465.39
IUPAC Name(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide
SMILESCCCCC/C=C/CC(=O)NCC(C)N(CC(C)O)C(C)CNC(=O)C/C=C/CCCCC
InChIInChI=1S/C27H51N3O3/c1-6-8-10-12-14-16-18-26(32)28-20-23(3)30(22-25(5)31)24(4)21-29-27(33)19-17-15-13-11-9-7-2/h14-17,23-25,31H,6-13,18-22H2,1-5H3,(H,28,32)(H,29,33)/b16-14+,17-15+
InChIKeyCATKLTFAPSANOL-YXLFCKQPSA-N
XLogP4.73
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.72
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide with MolForge

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Related Compounds

(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide
CID 101285811
(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285722
(E)-N-[(dimethylamino)methyl]non-3-enamide
CID 102117783
(E)-N-[1-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]propyl]amino]propan-2-yl]oct-3-enamide
CID 101285844
(2R)-2-hydroxy-N-octadec-9-enylpropanamide
CID 123550405
N,N'-bis(2-hydroxypropyl)octadec-9-enediamide
CID 76514668
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
(12R)-12-hydroxy-N-(2-hydroxypropyl)octadec-9-enamide
CID 54105430
(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide
CID 101285824
N-[(Z,2S)-2-hydroxyheptadec-3-enyl]hexadecanamide
CID 172946526
(E)-N,N-dimethyldec-3-enamide
CID 11321540
N-(2-hydroxypropyl)nonadecanamide
CID 102118860

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide?
The IUPAC name of (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide (CID 101285870) is (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide.
What is the SMILES notation for (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide?
The canonical SMILES for (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide is CCCCC/C=C/CC(=O)NCC(C)N(CC(C)O)C(C)CNC(=O)C/C=C/CCCCC.
What is the InChIKey of (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide?
The InChIKey is CATKLTFAPSANOL-YXLFCKQPSA-N. The full InChI is InChI=1S/C27H51N3O3/c1-6-8-10-12-14-16-18-26(32)28-20-23(3)30(22-25(5)31)24(4)21-29-27(33)19-17-15-13-11-9-7-2/h14-17,23-25,31H,6-13,18-22H2,1-5H3,(H,28,32)(H,29,33)/b16-14+,17-15+.
What are the key properties of (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide?
(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide has a molecular weight of 465.72 g/mol, XLogP of 4.73, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide is sourced from PubChem (CID 101285870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).