(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide

C16H16N2O2 — CID 114332120

IUPAC(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)NCc2ccc(O)cc2)c1
InChIInChI=1S/C16H16N2O2/c17-14-3-1-2-12(10-14)6-9-16(20)18-11-13-4-7-15(19)8-5-13/h1-10,19H,11,17H2,(H,18,20)/b9-6+
InChIKeyFABUSKKLPDFREI-RMKNXTFCSA-N
MW268.32 g/mol
LogP2.30
Rot. Bonds4

About (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide

(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide (PubChem CID 114332120) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
PubChem CID114332120
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)NCc2ccc(O)cc2)c1
InChIInChI=1S/C16H16N2O2/c17-14-3-1-2-12(10-14)6-9-16(20)18-11-13-4-7-15(19)8-5-13/h1-10,19H,11,17H2,(H,18,20)/b9-6+
InChIKeyFABUSKKLPDFREI-RMKNXTFCSA-N
XLogP2.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-aminophenyl)-N-[(4-bromophenyl)methyl]prop-2-enamide
CID 115342686
(E)-3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344051
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 115343636
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
CID 115343655
(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(3-aminophenyl)-N-[(1-methylpyrrol-2-yl)methyl]prop-2-enamide
CID 106416857
(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604
(E)-3-(3-aminophenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 115344489
(E)-3-(3-aminophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 115343692

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide (CID 114332120) is (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide is Nc1cccc(/C=C/C(=O)NCc2ccc(O)cc2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide?
The InChIKey is FABUSKKLPDFREI-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-14-3-1-2-12(10-14)6-9-16(20)18-11-13-4-7-15(19)8-5-13/h1-10,19H,11,17H2,(H,18,20)/b9-6+.
What are the key properties of (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 114332120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).