(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide

C18H19N3O5 — CID 11068279

IUPAC(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(NC(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1OC
InChIInChI=1S/C18H19N3O5/c1-25-15-9-8-14(11-16(15)26-2)20-18(23)19-13-6-3-12(4-7-13)5-10-17(22)21-24/h3-11,24H,1-2H3,(H,21,22)(H2,19,20,23)/b10-5+
InChIKeyYYJQTOKVRNZEPY-BJMVGYQFSA-N
MW357.37 g/mol
LogP2.87
Rot. Bonds6

About (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 11068279) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID11068279
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(NC(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1OC
InChIInChI=1S/C18H19N3O5/c1-25-15-9-8-14(11-16(15)26-2)20-18(23)19-13-6-3-12(4-7-13)5-10-17(22)21-24/h3-11,24H,1-2H3,(H,21,22)(H2,19,20,23)/b10-5+
InChIKeyYYJQTOKVRNZEPY-BJMVGYQFSA-N
XLogP2.87
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N-[(4-acetamidophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 5230615

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide (CID 11068279) is (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide is COc1ccc(NC(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1OC.
What is the InChIKey of (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is YYJQTOKVRNZEPY-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-15-9-8-14(11-16(15)26-2)20-18(23)19-13-6-3-12(4-7-13)5-10-17(22)21-24/h3-11,24H,1-2H3,(H,21,22)(H2,19,20,23)/b10-5+.
What are the key properties of (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 357.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11068279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).