N-(4-octylphenyl)undec-2-enamide

C25H41NO — CID 167433429

IUPACN-(4-octylphenyl)undec-2-enamide
SMILESCCCCCCCCC=CC(=O)Nc1ccc(CCCCCCCC)cc1
InChIInChI=1S/C25H41NO/c1-3-5-7-9-11-12-14-16-18-25(27)26-24-21-19-23(20-22-24)17-15-13-10-8-6-4-2/h16,18-22H,3-15,17H2,1-2H3,(H,26,27)
InChIKeyBVPNRAIKPBGXST-UHFFFAOYSA-N
MW371.61 g/mol
LogP7.83
Rot. Bonds16

About N-(4-octylphenyl)undec-2-enamide

N-(4-octylphenyl)undec-2-enamide (PubChem CID 167433429) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is N-(4-octylphenyl)undec-2-enamide.

Molecular Properties

Compound NameN-(4-octylphenyl)undec-2-enamide
PubChem CID167433429
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC NameN-(4-octylphenyl)undec-2-enamide
SMILESCCCCCCCCC=CC(=O)Nc1ccc(CCCCCCCC)cc1
InChIInChI=1S/C25H41NO/c1-3-5-7-9-11-12-14-16-18-25(27)26-24-21-19-23(20-22-24)17-15-13-10-8-6-4-2/h16,18-22H,3-15,17H2,1-2H3,(H,26,27)
InChIKeyBVPNRAIKPBGXST-UHFFFAOYSA-N
XLogP7.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 57.83
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

N-(4-tetradecylphenyl)undec-2-enamide
CID 167433428
N-phenyldec-2-enamide
CID 72974313
(E)-N-(4-iodophenyl)oct-2-enamide
CID 2172848
N-(4-heptylphenyl)heptanamide
CID 101077737
2-hydroxy-4-(undec-2-enoylamino)benzoic acid
CID 75231522
N'-(4-dodecylphenyl)oxamide
CID 118096540
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
4-[(E)-octadec-9-enyl]benzoic acid
CID 67928676
4-chloro-N-(4-heptylphenyl)-3-oxobutanamide
CID 86085625
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
N-(4-butylphenyl)-2-hydroxyiminoacetamide
CID 53405867
1-(4-heptylphenyl)-3-propylurea
CID 142021842

Frequently Asked Questions

What is the IUPAC name of N-(4-octylphenyl)undec-2-enamide?
The IUPAC name of N-(4-octylphenyl)undec-2-enamide (CID 167433429) is N-(4-octylphenyl)undec-2-enamide.
What is the SMILES notation for N-(4-octylphenyl)undec-2-enamide?
The canonical SMILES for N-(4-octylphenyl)undec-2-enamide is CCCCCCCCC=CC(=O)Nc1ccc(CCCCCCCC)cc1.
What is the InChIKey of N-(4-octylphenyl)undec-2-enamide?
The InChIKey is BVPNRAIKPBGXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO/c1-3-5-7-9-11-12-14-16-18-25(27)26-24-21-19-23(20-22-24)17-15-13-10-8-6-4-2/h16,18-22H,3-15,17H2,1-2H3,(H,26,27).
What are the key properties of N-(4-octylphenyl)undec-2-enamide?
N-(4-octylphenyl)undec-2-enamide has a molecular weight of 371.61 g/mol, XLogP of 7.83, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-octylphenyl)undec-2-enamide is sourced from PubChem (CID 167433429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).