[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate

C32H40N2O3 — CID 101361123

IUPAC[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate
SMILESCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C32H40N2O3/c1-4-5-6-7-8-9-10-11-24-36-30-20-14-27(15-21-30)32(35)37-31-22-16-28(17-23-31)33-25-26-12-18-29(19-13-26)34(2)3/h12-23,25H,4-11,24H2,1-3H3/b33-25+
InChIKeyXRADXLINSFOFDY-INKHBPHZSA-N
MW500.68 g/mol
LogP8.24
Rot. Bonds15

About [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate

[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate (PubChem CID 101361123) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate.

Molecular Properties

Compound Name[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate
PubChem CID101361123
Molecular FormulaC32H40N2O3
Molecular Weight500.68 g/mol
Exact Mass500.30
IUPAC Name[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate
SMILESCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C32H40N2O3/c1-4-5-6-7-8-9-10-11-24-36-30-20-14-27(15-21-30)32(35)37-31-22-16-28(17-23-31)33-25-26-12-18-29(19-13-26)34(2)3/h12-23,25H,4-11,24H2,1-3H3/b33-25+
InChIKeyXRADXLINSFOFDY-INKHBPHZSA-N
XLogP8.24
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-hexoxybenzoate
CID 101361121
[4-[(4-octoxyphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 122390429
[4-[[4-[2-[4-[[4-(4-hexoxybenzoyl)oxyphenyl]methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenyl] 4-hexoxybenzoate
CID 102027755
[4-[4-[[4-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenyl]iminomethyl]phenoxy]carbonylphenyl] 4-hexadecoxybenzoate
CID 122226106
[4-[[4-[[4-(4-heptoxybenzoyl)oxyphenyl]iminomethyl]phenyl]methylideneamino]phenyl] 4-heptoxybenzoate
CID 102158254
[4-[[4-[4-[(4-decoxyphenyl)iminomethyl]benzoyl]oxyphenyl]methyl]phenyl] 4-[(4-decoxyphenyl)iminomethyl]benzoate
CID 102596585
[4-[(4-chlorophenyl)methylideneamino]phenyl] 4-pentoxybenzoate
CID 4071198
[3-[4-[(4-tetradecoxyphenyl)iminomethyl]benzoyl]oxyphenyl] 4-[(4-hexoxyphenyl)iminomethyl]benzoate
CID 102214417
[4-[[3-[[4-(4-decoxybenzoyl)oxyphenyl]methylideneamino]phenyl]iminomethyl]phenyl] 4-decoxybenzoate
CID 101148419
methyl 4-[(4-dodecoxyphenyl)methylideneamino]benzoate
CID 102441391
[4-[(4-butoxyphenyl)methylideneamino]phenyl] 4-tert-butylbenzoate
CID 101016507
[4-(naphthalen-2-yliminomethyl)phenyl] 4-tetradecoxybenzoate
CID 100955615

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate?
The IUPAC name of [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate (CID 101361123) is [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate.
What is the SMILES notation for [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate?
The canonical SMILES for [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate is CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)cc1.
What is the InChIKey of [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate?
The InChIKey is XRADXLINSFOFDY-INKHBPHZSA-N. The full InChI is InChI=1S/C32H40N2O3/c1-4-5-6-7-8-9-10-11-24-36-30-20-14-27(15-21-30)32(35)37-31-22-16-28(17-23-31)33-25-26-12-18-29(19-13-26)34(2)3/h12-23,25H,4-11,24H2,1-3H3/b33-25+.
What are the key properties of [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate?
[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate has a molecular weight of 500.68 g/mol, XLogP of 8.24, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate is sourced from PubChem (CID 101361123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).