1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine

C42H68N2O2 — CID 4658551

IUPAC1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine
SMILESCCCCCCCCCCCCCC(=NN=C(CCCCCCCCCCCCC)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C42H68N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-41(37-29-33-39(45-3)34-30-37)43-44-42(38-31-35-40(46-4)36-32-38)28-26-24-22-20-18-16-14-12-10-8-6-2/h29-36H,5-28H2,1-4H3
InChIKeyZMIDVACUMYWOCT-UHFFFAOYSA-N
MW633.02 g/mol
LogP13.30
Rot. Bonds29

About 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine (PubChem CID 4658551) has the molecular formula C42H68N2O2 and a molecular weight of 633.02 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine
PubChem CID4658551
Molecular FormulaC42H68N2O2
Molecular Weight633.02 g/mol
Exact Mass632.53
IUPAC Name1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine
SMILESCCCCCCCCCCCCCC(=NN=C(CCCCCCCCCCCCC)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C42H68N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-41(37-29-33-39(45-3)34-30-37)43-44-42(38-31-35-40(46-4)36-32-38)28-26-24-22-20-18-16-14-12-10-8-6-2/h29-36H,5-28H2,1-4H3
InChIKeyZMIDVACUMYWOCT-UHFFFAOYSA-N
XLogP13.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.02
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
N-[(E)-1-(4-methoxyphenyl)propylideneamino]decanamide
CID 6004456
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
CID 5362368
(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid
CID 14347294
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
4-methoxy-N,N-dimethyl-N'-nonylbenzenecarboximidamide
CID 525636
N-[1,5-bis(4-heptoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
CID 3094830
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
1,4-dimethoxybenzene;octan-3-one
CID 174621330

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine (CID 4658551) is 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine is CCCCCCCCCCCCCC(=NN=C(CCCCCCCCCCCCC)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine?
The InChIKey is ZMIDVACUMYWOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H68N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-41(37-29-33-39(45-3)34-30-37)43-44-42(38-31-35-40(46-4)36-32-38)28-26-24-22-20-18-16-14-12-10-8-6-2/h29-36H,5-28H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine?
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine has a molecular weight of 633.02 g/mol, XLogP of 13.30, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine is sourced from PubChem (CID 4658551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).