(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide

C17H17NO2 — CID 78906818

IUPAC(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C17H17NO2/c1-3-6-17(19)18-15-7-4-5-8-16(15)20-14-11-9-13(2)10-12-14/h3-12H,1-2H3,(H,18,19)/b6-3+
InChIKeyQCJTZBHWFFGTLJ-ZZXKWVIFSA-N
MW267.33 g/mol
LogP4.30
Rot. Bonds4

About (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide

(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide (PubChem CID 78906818) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
PubChem CID78906818
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C17H17NO2/c1-3-6-17(19)18-15-7-4-5-8-16(15)20-14-11-9-13(2)10-12-14/h3-12H,1-2H3,(H,18,19)/b6-3+
InChIKeyQCJTZBHWFFGTLJ-ZZXKWVIFSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
2-methoxy-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 75835937
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
CID 110894141
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
CID 111105100
4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 60567368
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
6-methyl-N-[2-(4-methylphenoxy)phenyl]pyridine-2-carboxamide
CID 38507776
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide (CID 78906818) is (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide is C/C=C/C(=O)Nc1ccccc1Oc1ccc(C)cc1.
What is the InChIKey of (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide?
The InChIKey is QCJTZBHWFFGTLJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-6-17(19)18-15-7-4-5-8-16(15)20-14-11-9-13(2)10-12-14/h3-12H,1-2H3,(H,18,19)/b6-3+.
What are the key properties of (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide?
(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide is sourced from PubChem (CID 78906818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).