N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide

C23H38N2O3 — CID 51060988

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1OC
InChIInChI=1S/C23H38N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-22(26)25-24-19-20-16-15-17-21(27-2)23(20)28-3/h15-17,19H,4-14,18H2,1-3H3,(H,25,26)/b24-19+
InChIKeyAQIXYWDEQQXYOT-LYBHJNIJSA-N
MW390.57 g/mol
LogP5.86
Rot. Bonds16

About N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide (PubChem CID 51060988) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
PubChem CID51060988
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1OC
InChIInChI=1S/C23H38N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-22(26)25-24-19-20-16-15-17-21(27-2)23(20)28-3/h15-17,19H,4-14,18H2,1-3H3,(H,25,26)/b24-19+
InChIKeyAQIXYWDEQQXYOT-LYBHJNIJSA-N
XLogP5.86
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.86
H-Bond Donors ≤ 51
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

N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide
CID 4181503
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
CID 4639552
1-[(2,3-dimethoxyphenyl)methylideneamino]-3-dodecylthiourea
CID 4532382
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
N-(2,3-dimethylphenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]butanediamide
CID 3270963
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide (CID 51060988) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide is CCCCCCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide?
The InChIKey is AQIXYWDEQQXYOT-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-22(26)25-24-19-20-16-15-17-21(27-2)23(20)28-3/h15-17,19H,4-14,18H2,1-3H3,(H,25,26)/b24-19+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide has a molecular weight of 390.57 g/mol, XLogP of 5.86, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide is sourced from PubChem (CID 51060988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).