(E)-N-butyldec-2-enamide

C28H54N2O2 — CID 160628271

IUPAC(E)-N-butyldec-2-enamide
SMILESCCCCCCC/C=C/C(=O)NCCCC.CCCCCCC/C=C/C(=O)NCCCC
InChIInChI=1S/2C14H27NO/c2*1-3-5-7-8-9-10-11-12-14(16)15-13-6-4-2/h2*11-12H,3-10,13H2,1-2H3,(H,15,16)/b2*12-11+
InChIKeyRHOZHRGCSYIRTE-GACHGFCISA-N
MW450.75 g/mol
LogP7.64
Rot. Bonds20

About (E)-N-butyldec-2-enamide

(E)-N-butyldec-2-enamide (PubChem CID 160628271) has the molecular formula C28H54N2O2 and a molecular weight of 450.75 g/mol. Its IUPAC name is (E)-N-butyldec-2-enamide.

Molecular Properties

Compound Name(E)-N-butyldec-2-enamide
PubChem CID160628271
Molecular FormulaC28H54N2O2
Molecular Weight450.75 g/mol
Exact Mass450.42
IUPAC Name(E)-N-butyldec-2-enamide
SMILESCCCCCCC/C=C/C(=O)NCCCC.CCCCCCC/C=C/C(=O)NCCCC
InChIInChI=1S/2C14H27NO/c2*1-3-5-7-8-9-10-11-12-14(16)15-13-6-4-2/h2*11-12H,3-10,13H2,1-2H3,(H,15,16)/b2*12-11+
InChIKeyRHOZHRGCSYIRTE-GACHGFCISA-N
XLogP7.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 57.64
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

N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
4-[[(E)-dodec-2-enoyl]amino]butane-1-sulfonic acid
CID 101284524
(E)-N-[3-(diethylamino)propyl]dec-2-enamide
CID 86694810
(E)-N-butyl-6-chlorohex-2-enamide
CID 154707012
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
3-[[(E)-oct-2-enoyl]amino]propane-1-sulfonic acid
CID 101283798
N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
2-(dodec-2-enoylamino)acetic acid
CID 75296754
(Z)-4-[[(Z)-docos-13-enyl]amino]-4-oxobut-2-enoic acid
CID 86748487

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyldec-2-enamide?
The IUPAC name of (E)-N-butyldec-2-enamide (CID 160628271) is (E)-N-butyldec-2-enamide.
What is the SMILES notation for (E)-N-butyldec-2-enamide?
The canonical SMILES for (E)-N-butyldec-2-enamide is CCCCCCC/C=C/C(=O)NCCCC.CCCCCCC/C=C/C(=O)NCCCC.
What is the InChIKey of (E)-N-butyldec-2-enamide?
The InChIKey is RHOZHRGCSYIRTE-GACHGFCISA-N. The full InChI is InChI=1S/2C14H27NO/c2*1-3-5-7-8-9-10-11-12-14(16)15-13-6-4-2/h2*11-12H,3-10,13H2,1-2H3,(H,15,16)/b2*12-11+.
What are the key properties of (E)-N-butyldec-2-enamide?
(E)-N-butyldec-2-enamide has a molecular weight of 450.75 g/mol, XLogP of 7.64, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyldec-2-enamide is sourced from PubChem (CID 160628271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).