N,2,3-tributylhept-2-enamide

C19H37NO — CID 139641351

IUPACN,2,3-tributylhept-2-enamide
SMILESCCCCNC(=O)C(CCCC)=C(CCCC)CCCC
InChIInChI=1S/C19H37NO/c1-5-9-13-17(14-10-6-2)18(15-11-7-3)19(21)20-16-12-8-4/h5-16H2,1-4H3,(H,20,21)
InChIKeyPHIJBEAIKAHPOG-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.77
Rot. Bonds13

About N,2,3-tributylhept-2-enamide

N,2,3-tributylhept-2-enamide (PubChem CID 139641351) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N,2,3-tributylhept-2-enamide.

Molecular Properties

Compound NameN,2,3-tributylhept-2-enamide
PubChem CID139641351
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN,2,3-tributylhept-2-enamide
SMILESCCCCNC(=O)C(CCCC)=C(CCCC)CCCC
InChIInChI=1S/C19H37NO/c1-5-9-13-17(14-10-6-2)18(15-11-7-3)19(21)20-16-12-8-4/h5-16H2,1-4H3,(H,20,21)
InChIKeyPHIJBEAIKAHPOG-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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(2E)-N-(12-aminododecyl)-3,7-dimethylocta-2,6-dienamide
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N,N'-dioctylacrylamide
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2,6-dimethyl-N3,N5-dioctyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 376622
N-ethyl-2-fluorocyclohexene-1-carboxamide
CID 67765163
N-ethyl-2-fluorocyclopentene-1-carboxamide
CID 67765166
2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide
CID 126513993
2-fluoro-N-propylcyclohexene-1-carboxamide
CID 129028203
2-fluoro-N-propylcyclopentene-1-carboxamide
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N-[(2R)-6-methylhept-5-en-2-yl]dodecanamide
CID 16062236

Frequently Asked Questions

What is the IUPAC name of N,2,3-tributylhept-2-enamide?
The IUPAC name of N,2,3-tributylhept-2-enamide (CID 139641351) is N,2,3-tributylhept-2-enamide.
What is the SMILES notation for N,2,3-tributylhept-2-enamide?
The canonical SMILES for N,2,3-tributylhept-2-enamide is CCCCNC(=O)C(CCCC)=C(CCCC)CCCC.
What is the InChIKey of N,2,3-tributylhept-2-enamide?
The InChIKey is PHIJBEAIKAHPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-5-9-13-17(14-10-6-2)18(15-11-7-3)19(21)20-16-12-8-4/h5-16H2,1-4H3,(H,20,21).
What are the key properties of N,2,3-tributylhept-2-enamide?
N,2,3-tributylhept-2-enamide has a molecular weight of 295.51 g/mol, XLogP of 5.77, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-tributylhept-2-enamide is sourced from PubChem (CID 139641351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).