(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide

C17H17NO4 — CID 66561051

IUPAC(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-21-15-8-3-13(4-9-15)5-12-17(19)18(20)14-6-10-16(22-2)11-7-14/h3-12,20H,1-2H3/b12-5+
InChIKeyAPFQWMYRJGVEOG-LFYBBSHMSA-N
MW299.33 g/mol
LogP3.14
Rot. Bonds5

About (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide

(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide (PubChem CID 66561051) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
PubChem CID66561051
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-21-15-8-3-13(4-9-15)5-12-17(19)18(20)14-6-10-16(22-2)11-7-14/h3-12,20H,1-2H3/b12-5+
InChIKeyAPFQWMYRJGVEOG-LFYBBSHMSA-N
XLogP3.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
CID 69129935
CID 69129935
CID 59090938
CID 59090938
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide (CID 66561051) is (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)N(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The InChIKey is APFQWMYRJGVEOG-LFYBBSHMSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-15-8-3-13(4-9-15)5-12-17(19)18(20)14-6-10-16(22-2)11-7-14/h3-12,20H,1-2H3/b12-5+.
What are the key properties of (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide?
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide has a molecular weight of 299.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 66561051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).