(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide

C21H26N2O2 — CID 20579472

IUPAC(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN(CCCc1ccccc1)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H26N2O2/c1-2-23(16-6-9-18-7-4-3-5-8-18)17-20-12-10-19(11-13-20)14-15-21(24)22-25/h3-5,7-8,10-15,25H,2,6,9,16-17H2,1H3,(H,22,24)/b15-14+
InChIKeyGLQPNROWLXLDFS-CCEZHUSRSA-N
MW338.45 g/mol
LogP3.66
Rot. Bonds9

About (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 20579472) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID20579472
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN(CCCc1ccccc1)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H26N2O2/c1-2-23(16-6-9-18-7-4-3-5-8-18)17-20-12-10-19(11-13-20)14-15-21(24)22-25/h3-5,7-8,10-15,25H,2,6,9,16-17H2,1H3,(H,22,24)/b15-14+
InChIKeyGLQPNROWLXLDFS-CCEZHUSRSA-N
XLogP3.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-(3-phenylpropyl)carbamoyl]benzamide
CID 72980788
(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 59528988
(E)-3-[4-[[ethyl-[2-(1H-indol-4-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150331
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481
(E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 143868026
(E)-N-[3-[benzyl(ethyl)amino]propyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 127029428
(E)-3-[4-(diethylaminomethyl)phenyl]prop-2-enoic acid;hydrochloride
CID 71692542
(E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide
CID 143019450
(E)-3-[1-[3-[ethyl(propyl)amino]propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 143019515
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 20579472) is (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide is CCN(CCCc1ccccc1)Cc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is GLQPNROWLXLDFS-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-23(16-6-9-18-7-4-3-5-8-18)17-20-12-10-19(11-13-20)14-15-21(24)22-25/h3-5,7-8,10-15,25H,2,6,9,16-17H2,1H3,(H,22,24)/b15-14+.
What are the key properties of (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 338.45 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 20579472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).