1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one

C24H31NO2 — CID 143174923

IUPAC1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1cc(CC(C)C)ccc1/N=C(\C)c1ccccc1OC
InChIInChI=1S/C24H31NO2/c1-6-7-11-23(26)21-16-19(15-17(2)3)13-14-22(21)25-18(4)20-10-8-9-12-24(20)27-5/h8-10,12-14,16-17H,6-7,11,15H2,1-5H3/b25-18+
InChIKeyFUVAOGPDLGZETN-XIEYBQDHSA-N
MW365.52 g/mol
LogP6.41
Rot. Bonds9

About 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one

1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one (PubChem CID 143174923) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one
PubChem CID143174923
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1cc(CC(C)C)ccc1/N=C(\C)c1ccccc1OC
InChIInChI=1S/C24H31NO2/c1-6-7-11-23(26)21-16-19(15-17(2)3)13-14-22(21)25-18(4)20-10-8-9-12-24(20)27-5/h8-10,12-14,16-17H,6-7,11,15H2,1-5H3/b25-18+
InChIKeyFUVAOGPDLGZETN-XIEYBQDHSA-N
XLogP6.41
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(3,4-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one
CID 143175154
1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine
CID 143175261
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
3-butoxy-1-(2-methoxyphenyl)propan-1-one
CID 55096402
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
1-(2-methoxyphenyl)hept-6-en-1-one
CID 159355856
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543131
ethyl 2-methoxy-4-(2-methylpropyl)benzoate
CID 141306392
1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol
CID 19010736
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one?
The IUPAC name of 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one (CID 143174923) is 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one is CCCCC(=O)c1cc(CC(C)C)ccc1/N=C(\C)c1ccccc1OC.
What is the InChIKey of 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one?
The InChIKey is FUVAOGPDLGZETN-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H31NO2/c1-6-7-11-23(26)21-16-19(15-17(2)3)13-14-22(21)25-18(4)20-10-8-9-12-24(20)27-5/h8-10,12-14,16-17H,6-7,11,15H2,1-5H3/b25-18+.
What are the key properties of 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one?
1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one has a molecular weight of 365.52 g/mol, XLogP of 6.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one is sourced from PubChem (CID 143174923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).