2-dodecylpentadec-2-enamide

C27H53NO — CID 173002797

IUPAC2-dodecylpentadec-2-enamide
SMILESCCCCCCCCCCCCC=C(CCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C27H53NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-26(27(28)29)24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,28,29)
InChIKeyBWRGXIGXHVDAHH-UHFFFAOYSA-N
MW407.73 g/mol
LogP9.02
Rot. Bonds23

About 2-dodecylpentadec-2-enamide

2-dodecylpentadec-2-enamide (PubChem CID 173002797) has the molecular formula C27H53NO and a molecular weight of 407.73 g/mol. Its IUPAC name is 2-dodecylpentadec-2-enamide.

Molecular Properties

Compound Name2-dodecylpentadec-2-enamide
PubChem CID173002797
Molecular FormulaC27H53NO
Molecular Weight407.73 g/mol
Exact Mass407.41
IUPAC Name2-dodecylpentadec-2-enamide
SMILESCCCCCCCCCCCCC=C(CCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C27H53NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-26(27(28)29)24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,28,29)
InChIKeyBWRGXIGXHVDAHH-UHFFFAOYSA-N
XLogP9.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 59.02
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

2-nonylidenedodecanediamide
CID 154630805
2-hexylidenehexanediamide
CID 140969893
2-hexylnon-2-enamide;prop-2-enoic acid
CID 174868257
2-[3-(butylamino)propylidene]decanamide
CID 174854372
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721
2-ethylideneoctadecanamide
CID 141119567
(2Z)-2-pentylidene-8-phenyloctanamide
CID 118453451
2-octadecylbut-2-enediamide
CID 73412414
(Z)-2-hydroxyoctadec-2-enamide
CID 166667258
2-methylnonacos-2-enamide
CID 141002865
(E)-2-methylhexadec-2-enamide
CID 87240184

Frequently Asked Questions

What is the IUPAC name of 2-dodecylpentadec-2-enamide?
The IUPAC name of 2-dodecylpentadec-2-enamide (CID 173002797) is 2-dodecylpentadec-2-enamide.
What is the SMILES notation for 2-dodecylpentadec-2-enamide?
The canonical SMILES for 2-dodecylpentadec-2-enamide is CCCCCCCCCCCCC=C(CCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 2-dodecylpentadec-2-enamide?
The InChIKey is BWRGXIGXHVDAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-26(27(28)29)24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,28,29).
What are the key properties of 2-dodecylpentadec-2-enamide?
2-dodecylpentadec-2-enamide has a molecular weight of 407.73 g/mol, XLogP of 9.02, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylpentadec-2-enamide is sourced from PubChem (CID 173002797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).