4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide

C32H48N2O2 — CID 101349514

IUPAC4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide
SMILESCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)N(CC(C)C)CC(C)C)cc2)cc1
InChIInChI=1S/C32H48N2O2/c1-6-7-8-9-10-11-12-13-22-36-31-20-18-30(19-21-31)33-23-28-14-16-29(17-15-28)32(35)34(24-26(2)3)25-27(4)5/h14-21,23,26-27H,6-13,22,24-25H2,1-5H3/b33-23+
InChIKeyXYEDINNYAWSSFN-GZZLJNBRSA-N
MW492.75 g/mol
LogP8.71
Rot. Bonds17

About 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide

4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide (PubChem CID 101349514) has the molecular formula C32H48N2O2 and a molecular weight of 492.75 g/mol. Its IUPAC name is 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide
PubChem CID101349514
Molecular FormulaC32H48N2O2
Molecular Weight492.75 g/mol
Exact Mass492.37
IUPAC Name4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide
SMILESCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)N(CC(C)C)CC(C)C)cc2)cc1
InChIInChI=1S/C32H48N2O2/c1-6-7-8-9-10-11-12-13-22-36-31-20-18-30(19-21-31)33-23-28-14-16-29(17-15-28)32(35)34(24-26(2)3)25-27(4)5/h14-21,23,26-27H,6-13,22,24-25H2,1-5H3/b33-23+
InChIKeyXYEDINNYAWSSFN-GZZLJNBRSA-N
XLogP8.71
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.75
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-heptoxyphenyl)methylideneamino]benzoic acid
CID 43836038
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
[4-[[4-[[4-(4-heptoxybenzoyl)oxyphenyl]iminomethyl]phenyl]methylideneamino]phenyl] 4-heptoxybenzoate
CID 102158254
methyl 4-[(4-dodecoxyphenyl)methylideneamino]benzoate
CID 102441391
[4-[4-[[4-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenyl]iminomethyl]phenoxy]carbonylphenyl] 4-hexadecoxybenzoate
CID 122226106
[4-[[4-[2-[4-[[4-(4-hexoxybenzoyl)oxyphenyl]methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenyl] 4-hexoxybenzoate
CID 102027755
1-[4-[4-[(4-octoxyphenyl)methylideneamino]phenyl]phenyl]dodecan-1-one
CID 100997255
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-hexoxybenzoate
CID 101361121
[4-[(4-octoxyphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 122390429
[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate
CID 101361123

Frequently Asked Questions

What is the IUPAC name of 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide (CID 101349514) is 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide is CCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)N(CC(C)C)CC(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is XYEDINNYAWSSFN-GZZLJNBRSA-N. The full InChI is InChI=1S/C32H48N2O2/c1-6-7-8-9-10-11-12-13-22-36-31-20-18-30(19-21-31)33-23-28-14-16-29(17-15-28)32(35)34(24-26(2)3)25-27(4)5/h14-21,23,26-27H,6-13,22,24-25H2,1-5H3/b33-23+.
What are the key properties of 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide?
4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 492.75 g/mol, XLogP of 8.71, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 101349514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).