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

C27H51N3O3 — CID 101285824

IUPAC(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide
SMILESCCCCC/C=C/CC(=O)NC(C)CN(CCCO)CC(C)NC(=O)C/C=C/CCCCC
InChIInChI=1S/C27H51N3O3/c1-5-7-9-11-13-15-18-26(32)28-24(3)22-30(20-17-21-31)23-25(4)29-27(33)19-16-14-12-10-8-6-2/h13-16,24-25,31H,5-12,17-23H2,1-4H3,(H,28,32)(H,29,33)/b15-13+,16-14+
InChIKeyCQCNUHVKTFDLRI-WXUKJITCSA-N
MW465.72 g/mol
LogP4.73
Rot. Bonds21

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

(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide (PubChem CID 101285824) has the molecular formula C27H51N3O3 and a molecular weight of 465.72 g/mol. Its IUPAC name is (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide.

Molecular Properties

Compound Name(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide
PubChem CID101285824
Molecular FormulaC27H51N3O3
Molecular Weight465.72 g/mol
Exact Mass465.39
IUPAC Name(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide
SMILESCCCCC/C=C/CC(=O)NC(C)CN(CCCO)CC(C)NC(=O)C/C=C/CCCCC
InChIInChI=1S/C27H51N3O3/c1-5-7-9-11-13-15-18-26(32)28-24(3)22-30(20-17-21-31)23-25(4)29-27(33)19-16-14-12-10-8-6-2/h13-16,24-25,31H,5-12,17-23H2,1-4H3,(H,28,32)(H,29,33)/b15-13+,16-14+
InChIKeyCQCNUHVKTFDLRI-WXUKJITCSA-N
XLogP4.73
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
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-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide with MolForge

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Related Compounds

(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-2-enoyl]amino]propyl]amino]propan-2-yl]non-2-enamide
CID 101285823
(E)-N-[1-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]propyl]amino]propan-2-yl]oct-3-enamide
CID 101285844
(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-7-enoyl]amino]propyl]amino]propan-2-yl]non-7-enamide
CID 101285828
(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide
CID 101285811
3-[bis[(Z)-octadec-9-enyl]amino]propan-1-ol;hydrochloride
CID 175960878
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491
(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide
CID 102116556
(E)-N-[3-[3-[[(E)-non-3-enoyl]amino]propyl-(oxiran-2-ylmethyl)amino]propyl]non-3-enamide
CID 102117758
3-[bis(icosa-11,14-dienyl)amino]propan-1-ol
CID 123864221

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide?
The IUPAC name of (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide (CID 101285824) is (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide.
What is the SMILES notation for (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide?
The canonical SMILES for (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide is CCCCC/C=C/CC(=O)NC(C)CN(CCCO)CC(C)NC(=O)C/C=C/CCCCC.
What is the InChIKey of (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide?
The InChIKey is CQCNUHVKTFDLRI-WXUKJITCSA-N. The full InChI is InChI=1S/C27H51N3O3/c1-5-7-9-11-13-15-18-26(32)28-24(3)22-30(20-17-21-31)23-25(4)29-27(33)19-16-14-12-10-8-6-2/h13-16,24-25,31H,5-12,17-23H2,1-4H3,(H,28,32)(H,29,33)/b15-13+,16-14+.
What are the key properties of (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide?
(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide has a molecular weight of 465.72 g/mol, XLogP of 4.73, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide is sourced from PubChem (CID 101285824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).