(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide

C24H24N2O2 — CID 134154267

IUPAC(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C24H24N2O2/c1-26(17-20-5-3-2-4-6-20)18-21-7-12-22(13-8-21)25-24(28)16-11-19-9-14-23(27)15-10-19/h2-16,27H,17-18H2,1H3,(H,25,28)/b16-11+
InChIKeyHCRUXWJAWJFAGF-LFIBNONCSA-N
MW372.47 g/mol
LogP4.68
Rot. Bonds7

About (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 134154267) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID134154267
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C24H24N2O2/c1-26(17-20-5-3-2-4-6-20)18-21-7-12-22(13-8-21)25-24(28)16-11-19-9-14-23(27)15-10-19/h2-16,27H,17-18H2,1H3,(H,25,28)/b16-11+
InChIKeyHCRUXWJAWJFAGF-LFIBNONCSA-N
XLogP4.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 12818880
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
CID 60569011
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate
CID 60578500
N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 932766
N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-phenylprop-2-enamide
CID 71960612
N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
CID 4937429

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide (CID 134154267) is (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide is CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is HCRUXWJAWJFAGF-LFIBNONCSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-26(17-20-5-3-2-4-6-20)18-21-7-12-22(13-8-21)25-24(28)16-11-19-9-14-23(27)15-10-19/h2-16,27H,17-18H2,1H3,(H,25,28)/b16-11+.
What are the key properties of (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 372.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 134154267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).