4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide

C21H26N2O2 — CID 4927529

IUPAC4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-20(17-8-6-5-7-9-17)22-23-21(24)18-10-12-19(13-11-18)25-15-14-16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,23,24)
InChIKeyNMFOCEMFHPNTJB-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.66
Rot. Bonds8

About 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide

4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide (PubChem CID 4927529) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
PubChem CID4927529
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-20(17-8-6-5-7-9-17)22-23-21(24)18-10-12-19(13-11-18)25-15-14-16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,23,24)
InChIKeyNMFOCEMFHPNTJB-UHFFFAOYSA-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-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
CID 5455254
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927568
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide (CID 4927529) is 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide is CCC(=NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide?
The InChIKey is NMFOCEMFHPNTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-20(17-8-6-5-7-9-17)22-23-21(24)18-10-12-19(13-11-18)25-15-14-16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,23,24).
What are the key properties of 4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide?
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)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-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide is sourced from PubChem (CID 4927529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).