(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide

C44H84N2O2 — CID 144516738

IUPAC(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide
SMILESCCCCCCCCCCCCCCCC/C=C/C(=O)N[C@@H]1CC[C@H](C)C1.CCCCCCCCCCCCCCCC/C=C/C(N)=O
InChIInChI=1S/C25H47NO.C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-24-21-20-23(2)22-24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h18-19,23-24H,3-17,20-22H2,1-2H3,(H,26,27);17-18H,2-16H2,1H3,(H2,20,21)/b19-18+;18-17+/t23-,24+;/m0./s1
InChIKeyJPRDLGKDMGWEDL-DXVDBPDPSA-N
MW673.17 g/mol
LogP13.62
Rot. Bonds33

About (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide

(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide (PubChem CID 144516738) has the molecular formula C44H84N2O2 and a molecular weight of 673.17 g/mol. Its IUPAC name is (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide
PubChem CID144516738
Molecular FormulaC44H84N2O2
Molecular Weight673.17 g/mol
Exact Mass672.65
IUPAC Name(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide
SMILESCCCCCCCCCCCCCCCC/C=C/C(=O)N[C@@H]1CC[C@H](C)C1.CCCCCCCCCCCCCCCC/C=C/C(N)=O
InChIInChI=1S/C25H47NO.C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-24-21-20-23(2)22-24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h18-19,23-24H,3-17,20-22H2,1-2H3,(H,26,27);17-18H,2-16H2,1H3,(H2,20,21)/b19-18+;18-17+/t23-,24+;/m0./s1
InChIKeyJPRDLGKDMGWEDL-DXVDBPDPSA-N
XLogP13.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.17
LogP ≤ 513.62
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-[(1R,3S)-3-methylcyclopentyl]oct-2-enamide;(E)-oct-2-enamide
CID 144516731
(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
CID 144516859
(E)-N-cyclopropylnon-2-enamide
CID 144516886
(Z)-non-2-enamide
CID 97047009
(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
docosa-2,13-dienamide
CID 91597038
trideca-2,6-dienamide
CID 163862607
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
(E)-7-[(1S,2S)-2-octylcyclopentyl]hept-2-enamide;propan-1-amine
CID 172785883
(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
CID 130533152
hept-2-enamide;dihydrochloride
CID 142841404

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide?
The IUPAC name of (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide (CID 144516738) is (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide.
What is the SMILES notation for (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide?
The canonical SMILES for (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide is CCCCCCCCCCCCCCCC/C=C/C(=O)N[C@@H]1CC[C@H](C)C1.CCCCCCCCCCCCCCCC/C=C/C(N)=O.
What is the InChIKey of (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide?
The InChIKey is JPRDLGKDMGWEDL-DXVDBPDPSA-N. The full InChI is InChI=1S/C25H47NO.C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-24-21-20-23(2)22-24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h18-19,23-24H,3-17,20-22H2,1-2H3,(H,26,27);17-18H,2-16H2,1H3,(H2,20,21)/b19-18+;18-17+/t23-,24+;/m0./s1.
What are the key properties of (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide?
(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide has a molecular weight of 673.17 g/mol, XLogP of 13.62, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide is sourced from PubChem (CID 144516738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).