4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide

C21H26N2O2 — CID 6390070

IUPAC4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-8-20(17-9-6-5-7-10-17)22-23-21(24)18-11-13-19(14-12-18)25-15-16(2)3/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,23,24)/b22-20+
InChIKeyNYICOVXXOZTYJM-LSDHQDQOSA-N
MW338.45 g/mol
LogP4.66
Rot. Bonds8

About 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide

4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide (PubChem CID 6390070) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
PubChem CID6390070
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(OCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-8-20(17-9-6-5-7-10-17)22-23-21(24)18-11-13-19(14-12-18)25-15-16(2)3/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,23,24)/b22-20+
InChIKeyNYICOVXXOZTYJM-LSDHQDQOSA-N
XLogP4.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 6001763
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
CID 6234100
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide (CID 6390070) is 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide is CCC/C(=N\NC(=O)c1ccc(OCC(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide?
The InChIKey is NYICOVXXOZTYJM-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-8-20(17-9-6-5-7-10-17)22-23-21(24)18-11-13-19(14-12-18)25-15-16(2)3/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,23,24)/b22-20+.
What are the key properties of 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide?
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide is sourced from PubChem (CID 6390070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).