3-(2-undec-2-enoylphenyl)propanamide

C20H29NO2 — CID 141158106

IUPAC3-(2-undec-2-enoylphenyl)propanamide
SMILESCCCCCCCCC=CC(=O)c1ccccc1CCC(N)=O
InChIInChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-14-19(22)18-13-11-10-12-17(18)15-16-20(21)23/h9-14H,2-8,15-16H2,1H3,(H2,21,23)
InChIKeyAFVUAWXNJTWSQA-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.59
Rot. Bonds12

About 3-(2-undec-2-enoylphenyl)propanamide

3-(2-undec-2-enoylphenyl)propanamide (PubChem CID 141158106) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-(2-undec-2-enoylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-undec-2-enoylphenyl)propanamide
PubChem CID141158106
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name3-(2-undec-2-enoylphenyl)propanamide
SMILESCCCCCCCCC=CC(=O)c1ccccc1CCC(N)=O
InChIInChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-14-19(22)18-13-11-10-12-17(18)15-16-20(21)23/h9-14H,2-8,15-16H2,1H3,(H2,21,23)
InChIKeyAFVUAWXNJTWSQA-UHFFFAOYSA-N
XLogP4.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
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)-1-(2-hydroxyphenyl)dodec-2-en-1-one
CID 14840067
CID 175447632
CID 175447632
2-octylbenzamide
CID 11148995
(E)-1-(1H-indol-3-yl)non-2-en-1-one
CID 22400476
(E)-1-(1H-indol-3-yl)dec-2-en-1-one
CID 22400542
octadec-9-enamide
CID 75990485
(E)-icos-11-enamide
CID 5365373
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-8-enamide
CID 57212690
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-tricos-15-enamide
CID 155109212
(E)-1-(2-methoxyphenyl)hept-2-en-1-one
CID 19567082

Frequently Asked Questions

What is the IUPAC name of 3-(2-undec-2-enoylphenyl)propanamide?
The IUPAC name of 3-(2-undec-2-enoylphenyl)propanamide (CID 141158106) is 3-(2-undec-2-enoylphenyl)propanamide.
What is the SMILES notation for 3-(2-undec-2-enoylphenyl)propanamide?
The canonical SMILES for 3-(2-undec-2-enoylphenyl)propanamide is CCCCCCCCC=CC(=O)c1ccccc1CCC(N)=O.
What is the InChIKey of 3-(2-undec-2-enoylphenyl)propanamide?
The InChIKey is AFVUAWXNJTWSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-14-19(22)18-13-11-10-12-17(18)15-16-20(21)23/h9-14H,2-8,15-16H2,1H3,(H2,21,23).
What are the key properties of 3-(2-undec-2-enoylphenyl)propanamide?
3-(2-undec-2-enoylphenyl)propanamide has a molecular weight of 315.46 g/mol, XLogP of 4.59, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-undec-2-enoylphenyl)propanamide is sourced from PubChem (CID 141158106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).