2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide

C23H30N2O3 — CID 19208717

IUPAC2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide
SMILESCCCOc1ccc(/C=N/NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-6-15-27-20-11-7-18(8-12-20)16-24-25-22(26)17(2)28-21-13-9-19(10-14-21)23(3,4)5/h7-14,16-17H,6,15H2,1-5H3,(H,25,26)/b24-16+
InChIKeyZPYYKKWZXRAWMW-LFVJCYFKSA-N
MW382.50 g/mol
LogP4.69
Rot. Bonds8

About 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide

2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide (PubChem CID 19208717) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide
PubChem CID19208717
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide
SMILESCCCOc1ccc(/C=N/NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-6-15-27-20-11-7-18(8-12-20)16-24-25-22(26)17(2)28-21-13-9-19(10-14-21)23(3,4)5/h7-14,16-17H,6,15H2,1-5H3,(H,25,26)/b24-16+
InChIKeyZPYYKKWZXRAWMW-LFVJCYFKSA-N
XLogP4.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 51061973
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-tert-butylphenoxy)propanamide
CID 135805049
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
2-(4-tert-butylphenoxy)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6141982
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide (CID 19208717) is 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide is CCCOc1ccc(/C=N/NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide?
The InChIKey is ZPYYKKWZXRAWMW-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-15-27-20-11-7-18(8-12-20)16-24-25-22(26)17(2)28-21-13-9-19(10-14-21)23(3,4)5/h7-14,16-17H,6,15H2,1-5H3,(H,25,26)/b24-16+.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide?
2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide has a molecular weight of 382.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 19208717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).