N-benzyl-N-(4-octylphenyl)prop-2-enamide

C24H31NO — CID 156703845

IUPACN-benzyl-N-(4-octylphenyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)c1ccc(CCCCCCCC)cc1
InChIInChI=1S/C24H31NO/c1-3-5-6-7-8-10-13-21-16-18-23(19-17-21)25(24(26)4-2)20-22-14-11-9-12-15-22/h4,9,11-12,14-19H,2-3,5-8,10,13,20H2,1H3
InChIKeyHFLSPJNNWUQDOO-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.31
Rot. Bonds11

About N-benzyl-N-(4-octylphenyl)prop-2-enamide

N-benzyl-N-(4-octylphenyl)prop-2-enamide (PubChem CID 156703845) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is N-benzyl-N-(4-octylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-(4-octylphenyl)prop-2-enamide
PubChem CID156703845
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC NameN-benzyl-N-(4-octylphenyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)c1ccc(CCCCCCCC)cc1
InChIInChI=1S/C24H31NO/c1-3-5-6-7-8-10-13-21-16-18-23(19-17-21)25(24(26)4-2)20-22-14-11-9-12-15-22/h4,9,11-12,14-19H,2-3,5-8,10,13,20H2,1H3
InChIKeyHFLSPJNNWUQDOO-UHFFFAOYSA-N
XLogP6.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.31
H-Bond Donors ≤ 50
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-benzyl-N-pentylprop-2-enamide
CID 176825792
N-butyl-N-phenylprop-2-enamide
CID 43619884
ethenylsilane;heptylbenzene
CID 174982410
4-hexyl-N,N-diphenylaniline
CID 20525221
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
carbonic acid;pentylbenzene
CID 157127683
hexylbenzene;hydrogen peroxide
CID 90001206
4-octyl-N-(4-octylphenyl)-N-(2-phenylethyl)aniline
CID 141327378
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide
CID 144619615
pentadecane;pentadecylbenzene
CID 174970881

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-octylphenyl)prop-2-enamide?
The IUPAC name of N-benzyl-N-(4-octylphenyl)prop-2-enamide (CID 156703845) is N-benzyl-N-(4-octylphenyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-(4-octylphenyl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-(4-octylphenyl)prop-2-enamide is C=CC(=O)N(Cc1ccccc1)c1ccc(CCCCCCCC)cc1.
What is the InChIKey of N-benzyl-N-(4-octylphenyl)prop-2-enamide?
The InChIKey is HFLSPJNNWUQDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-3-5-6-7-8-10-13-21-16-18-23(19-17-21)25(24(26)4-2)20-22-14-11-9-12-15-22/h4,9,11-12,14-19H,2-3,5-8,10,13,20H2,1H3.
What are the key properties of N-benzyl-N-(4-octylphenyl)prop-2-enamide?
N-benzyl-N-(4-octylphenyl)prop-2-enamide has a molecular weight of 349.52 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-octylphenyl)prop-2-enamide is sourced from PubChem (CID 156703845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).