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

C16H16N2O3 — CID 102695194

IUPAC(E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(N)cc2)c(O)c1
InChIInChI=1S/C16H16N2O3/c1-21-13-7-8-14(15(19)10-13)18-16(20)9-4-11-2-5-12(17)6-3-11/h2-10,19H,17H2,1H3,(H,18,20)/b9-4+
InChIKeyUCLRKRJUHUGNQM-RUDMXATFSA-N
MW284.32 g/mol
LogP2.63
Rot. Bonds4

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

(E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 102695194) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide
PubChem CID102695194
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(N)cc2)c(O)c1
InChIInChI=1S/C16H16N2O3/c1-21-13-7-8-14(15(19)10-13)18-16(20)9-4-11-2-5-12(17)6-3-11/h2-10,19H,17H2,1H3,(H,18,20)/b9-4+
InChIKeyUCLRKRJUHUGNQM-RUDMXATFSA-N
XLogP2.63
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 100829899
3-hydroxy-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 108766502
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
N-(2-chloro-4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1371343
(E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 115343777
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 960081
2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide
CID 72684553
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide (CID 102695194) is (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(N)cc2)c(O)c1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is UCLRKRJUHUGNQM-RUDMXATFSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-13-7-8-14(15(19)10-13)18-16(20)9-4-11-2-5-12(17)6-3-11/h2-10,19H,17H2,1H3,(H,18,20)/b9-4+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 284.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 102695194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).