(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide

C25H44N2O2 — CID 144516859

IUPAC(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
SMILESCCCCCCC/C=C/C(=O)N[C@@H]1CC[C@H](NC(=O)/C=C/CCCCCCC)C1
InChIInChI=1S/C25H44N2O2/c1-3-5-7-9-11-13-15-17-24(28)26-22-19-20-23(21-22)27-25(29)18-16-14-12-10-8-6-4-2/h15-18,22-23H,3-14,19-21H2,1-2H3,(H,26,28)(H,27,29)/b17-15+,18-16+/t22-,23+
InChIKeySRIAKSBCLRIAEL-RHCUQMLUSA-N
MW404.64 g/mol
LogP5.97
Rot. Bonds16

About (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide

(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide (PubChem CID 144516859) has the molecular formula C25H44N2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
PubChem CID144516859
Molecular FormulaC25H44N2O2
Molecular Weight404.64 g/mol
Exact Mass404.34
IUPAC Name(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
SMILESCCCCCCC/C=C/C(=O)N[C@@H]1CC[C@H](NC(=O)/C=C/CCCCCCC)C1
InChIInChI=1S/C25H44N2O2/c1-3-5-7-9-11-13-15-17-24(28)26-22-19-20-23(21-22)27-25(29)18-16-14-12-10-8-6-4-2/h15-18,22-23H,3-14,19-21H2,1-2H3,(H,26,28)(H,27,29)/b17-15+,18-16+/t22-,23+
InChIKeySRIAKSBCLRIAEL-RHCUQMLUSA-N
XLogP5.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropylnon-2-enamide
CID 144516886
(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide
CID 144516738
(E)-N-[(1R,3S)-3-methylcyclopentyl]oct-2-enamide;(E)-oct-2-enamide
CID 144516731
(E)-N-[(1R,2S)-2-[[(E)-octadec-2-enoyl]amino]cyclopropyl]octadec-2-enamide
CID 144516819
(E)-N-[(1R,2S)-2-[[(E)-heptadec-2-enoyl]amino]cyclopropyl]heptadec-2-enamide
CID 144516762
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
18-(oxan-2-yloxy)-N-[(1S,3R)-3-[18-(oxan-2-yloxy)octadec-2-enoylamino]cyclopentyl]octadec-2-enamide
CID 123842235
11-(oxan-2-yloxy)-N-[3-[11-(oxan-2-yloxy)undec-2-enoylamino]cyclopentyl]undec-2-enamide
CID 78045854
(2Z,8Z)-N-[(3R)-2-oxooxolan-3-yl]tetradeca-2,8-dienamide
CID 162965156
(E)-N-butyldec-2-enamide
CID 160628271
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
2-(dodec-2-enoylamino)acetic acid
CID 75296754

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide?
The IUPAC name of (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide (CID 144516859) is (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide.
What is the SMILES notation for (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide?
The canonical SMILES for (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide is CCCCCCC/C=C/C(=O)N[C@@H]1CC[C@H](NC(=O)/C=C/CCCCCCC)C1.
What is the InChIKey of (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide?
The InChIKey is SRIAKSBCLRIAEL-RHCUQMLUSA-N. The full InChI is InChI=1S/C25H44N2O2/c1-3-5-7-9-11-13-15-17-24(28)26-22-19-20-23(21-22)27-25(29)18-16-14-12-10-8-6-4-2/h15-18,22-23H,3-14,19-21H2,1-2H3,(H,26,28)(H,27,29)/b17-15+,18-16+/t22-,23+.
What are the key properties of (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide?
(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide has a molecular weight of 404.64 g/mol, XLogP of 5.97, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide is sourced from PubChem (CID 144516859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).