(E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide

C21H20N2O2 — CID 84553505

IUPAC(E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)NCCNc1cccc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-18-11-8-16(9-12-18)10-13-21(25)23-15-14-22-20-7-3-5-17-4-1-2-6-19(17)20/h1-13,22,24H,14-15H2,(H,23,25)/b13-10+
InChIKeyWUNGCFOOWIUQFB-JLHYYAGUSA-N
MW332.40 g/mol
LogP3.79
Rot. Bonds6

About (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide

(E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide (PubChem CID 84553505) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
PubChem CID84553505
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)NCCNc1cccc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-18-11-8-16(9-12-18)10-13-21(25)23-15-14-22-20-7-3-5-17-4-1-2-6-19(17)20/h1-13,22,24H,14-15H2,(H,23,25)/b13-10+
InChIKeyWUNGCFOOWIUQFB-JLHYYAGUSA-N
XLogP3.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[2-(naphthalen-1-ylamino)ethylamino]-4-oxobut-2-enoic acid
CID 82036808
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
CID 84552085
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878
3-(4-hydroxyphenyl)-N-[4-[3-[3-(4-hydroxyphenyl)prop-2-enoylamino]propylamino]butyl]prop-2-enamide
CID 73190496
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
8-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]octylazanium chloride
CID 11045649
(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 6152566

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide (CID 84553505) is (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide is O=C(/C=C/c1ccc(O)cc1)NCCNc1cccc2ccccc12.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide?
The InChIKey is WUNGCFOOWIUQFB-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-18-11-8-16(9-12-18)10-13-21(25)23-15-14-22-20-7-3-5-17-4-1-2-6-19(17)20/h1-13,22,24H,14-15H2,(H,23,25)/b13-10+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide has a molecular weight of 332.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 84553505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).