(3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide

C16H16N2O3 — CID 134385929

IUPAC(3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide
SMILESCc1cccc(/C(CC(N)=O)=N/Oc2cccc(O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-11-4-2-5-12(8-11)15(10-16(17)20)18-21-14-7-3-6-13(19)9-14/h2-9,19H,10H2,1H3,(H2,17,20)/b18-15+
InChIKeyQRFWTJFKZAJNAL-OBGWFSINSA-N
MW284.31 g/mol
LogP2.36
Rot. Bonds5

About (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide

(3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide (PubChem CID 134385929) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide
PubChem CID134385929
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide
SMILESCc1cccc(/C(CC(N)=O)=N/Oc2cccc(O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-11-4-2-5-12(8-11)15(10-16(17)20)18-21-14-7-3-6-13(19)9-14/h2-9,19H,10H2,1H3,(H2,17,20)/b18-15+
InChIKeyQRFWTJFKZAJNAL-OBGWFSINSA-N
XLogP2.36
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.36
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

(3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide
CID 134385857
(3E)-3-(4-fluoro-3-hydroxyphenoxy)imino-3-phenylpropanamide
CID 134385924
benzene-1,3-diol;3-methylbenzoic acid
CID 174723405
[[1-(3-methylphenyl)-3-oxobutylidene]amino] sulfite
CID 57238380
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
(2E)-2-amino-2-(3-methylbenzoyl)oxyiminoacetic acid
CID 87481243
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-methylphenol
CID 67925627
N'-tert-butyl-3-methylbenzenecarboximidamide
CID 63181411

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide?
The IUPAC name of (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide (CID 134385929) is (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide.
What is the SMILES notation for (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide?
The canonical SMILES for (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide is Cc1cccc(/C(CC(N)=O)=N/Oc2cccc(O)c2)c1.
What is the InChIKey of (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide?
The InChIKey is QRFWTJFKZAJNAL-OBGWFSINSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-4-2-5-12(8-11)15(10-16(17)20)18-21-14-7-3-6-13(19)9-14/h2-9,19H,10H2,1H3,(H2,17,20)/b18-15+.
What are the key properties of (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide?
(3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide has a molecular weight of 284.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3-hydroxyphenoxy)imino-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 134385929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).