2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide

C18H20N2O3 — CID 110515550

IUPAC2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)23-17-9-5-15(6-10-17)12-19-20-18(22)11-14-3-7-16(21)8-4-14/h3-10,12-13,21H,11H2,1-2H3,(H,20,22)/b19-12-
InChIKeySZBWHJKDFZAZBD-UNOMPAQXSA-N
MW312.37 g/mol
LogP2.87
Rot. Bonds6

About 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide

2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide (PubChem CID 110515550) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
PubChem CID110515550
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)23-17-9-5-15(6-10-17)12-19-20-18(22)11-14-3-7-16(21)8-4-14/h3-10,12-13,21H,11H2,1-2H3,(H,20,22)/b19-12-
InChIKeySZBWHJKDFZAZBD-UNOMPAQXSA-N
XLogP2.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110515633
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515650
N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515613
2-(2,4-dimethylphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657846
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide
CID 6413143
3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 915937
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 6874469

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide (CID 110515550) is 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide is CC(C)Oc1ccc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The InChIKey is SZBWHJKDFZAZBD-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(2)23-17-9-5-15(6-10-17)12-19-20-18(22)11-14-3-7-16(21)8-4-14/h3-10,12-13,21H,11H2,1-2H3,(H,20,22)/b19-12-.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide?
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110515550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).