2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide

C24H30N2O2 — CID 143961008

IUPAC2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide
SMILESC=C(/N=C/C)C(=O)NCc1ccc(Oc2cccc(CCCCCC)c2)cc1
InChIInChI=1S/C24H30N2O2/c1-4-6-7-8-10-20-11-9-12-23(17-20)28-22-15-13-21(14-16-22)18-26-24(27)19(3)25-5-2/h5,9,11-17H,3-4,6-8,10,18H2,1-2H3,(H,26,27)/b25-5+
InChIKeyFQCYPSNVDSZRHN-VVAXDPKNSA-N
MW378.52 g/mol
LogP5.82
Rot. Bonds11

About 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide

2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide (PubChem CID 143961008) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide
PubChem CID143961008
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide
SMILESC=C(/N=C/C)C(=O)NCc1ccc(Oc2cccc(CCCCCC)c2)cc1
InChIInChI=1S/C24H30N2O2/c1-4-6-7-8-10-20-11-9-12-23(17-20)28-22-15-13-21(14-16-22)18-26-24(27)19(3)25-5-2/h5,9,11-17H,3-4,6-8,10,18H2,1-2H3,(H,26,27)/b25-5+
InChIKeyFQCYPSNVDSZRHN-VVAXDPKNSA-N
XLogP5.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,5-dimethylphenol;ethane;2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide
CID 143961007
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
4-butyl-N-[[3-[4-[1-(4-butylphenyl)ethenylamino]phenoxy]phenyl]methyl]benzamide
CID 143013733
N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
(3-pentylphenyl) octanoate;hydrobromide
CID 174977807
2-amino-N-[[4-(3-butylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843672
4-(3-pentadecylphenoxy)butanamide
CID 22354511
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
sodium 4-(3-octylphenoxy)-2-sulfophenolate
CID 101293860
sodium 2-sulfo-4-(3-tridecylphenoxy)phenolate
CID 101296511
5-[4-(3-ethylphenoxy)phenyl]pentan-1-ol
CID 139655848
1-methoxy-3-nonadecylbenzene
CID 154507578

Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide (CID 143961008) is 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide is C=C(/N=C/C)C(=O)NCc1ccc(Oc2cccc(CCCCCC)c2)cc1.
What is the InChIKey of 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is FQCYPSNVDSZRHN-VVAXDPKNSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-4-6-7-8-10-20-11-9-12-23(17-20)28-22-15-13-21(14-16-22)18-26-24(27)19(3)25-5-2/h5,9,11-17H,3-4,6-8,10,18H2,1-2H3,(H,26,27)/b25-5+.
What are the key properties of 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide?
2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 378.52 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-N-[[4-(3-hexylphenoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 143961008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).