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

C31H53NO — CID 167433428

IUPACN-(4-tetradecylphenyl)undec-2-enamide
SMILESCCCCCCCCC=CC(=O)Nc1ccc(CCCCCCCCCCCCCC)cc1
InChIInChI=1S/C31H53NO/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-29-25-27-30(28-26-29)32-31(33)24-22-20-18-12-10-8-6-4-2/h22,24-28H,3-21,23H2,1-2H3,(H,32,33)
InChIKeyVAHPIHOWQCNEQN-UHFFFAOYSA-N
MW455.77 g/mol
LogP10.18
Rot. Bonds22

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

N-(4-tetradecylphenyl)undec-2-enamide (PubChem CID 167433428) has the molecular formula C31H53NO and a molecular weight of 455.77 g/mol. Its IUPAC name is N-(4-tetradecylphenyl)undec-2-enamide.

Molecular Properties

Compound NameN-(4-tetradecylphenyl)undec-2-enamide
PubChem CID167433428
Molecular FormulaC31H53NO
Molecular Weight455.77 g/mol
Exact Mass455.41
IUPAC NameN-(4-tetradecylphenyl)undec-2-enamide
SMILESCCCCCCCCC=CC(=O)Nc1ccc(CCCCCCCCCCCCCC)cc1
InChIInChI=1S/C31H53NO/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-29-25-27-30(28-26-29)32-31(33)24-22-20-18-12-10-8-6-4-2/h22,24-28H,3-21,23H2,1-2H3,(H,32,33)
InChIKeyVAHPIHOWQCNEQN-UHFFFAOYSA-N
XLogP10.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.77
LogP ≤ 510.18
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-octylphenyl)undec-2-enamide
CID 167433429
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-tetradecylphenyl)undec-2-enamide?
The IUPAC name of N-(4-tetradecylphenyl)undec-2-enamide (CID 167433428) is N-(4-tetradecylphenyl)undec-2-enamide.
What is the SMILES notation for N-(4-tetradecylphenyl)undec-2-enamide?
The canonical SMILES for N-(4-tetradecylphenyl)undec-2-enamide is CCCCCCCCC=CC(=O)Nc1ccc(CCCCCCCCCCCCCC)cc1.
What is the InChIKey of N-(4-tetradecylphenyl)undec-2-enamide?
The InChIKey is VAHPIHOWQCNEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53NO/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-29-25-27-30(28-26-29)32-31(33)24-22-20-18-12-10-8-6-4-2/h22,24-28H,3-21,23H2,1-2H3,(H,32,33).
What are the key properties of N-(4-tetradecylphenyl)undec-2-enamide?
N-(4-tetradecylphenyl)undec-2-enamide has a molecular weight of 455.77 g/mol, XLogP of 10.18, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tetradecylphenyl)undec-2-enamide is sourced from PubChem (CID 167433428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).