(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide

C22H24N2O3 — CID 11574132

IUPAC(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN(CC)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-3-24(4-2)20-13-11-19(12-14-20)21(25)15-9-17-5-7-18(8-6-17)10-16-22(26)23-27/h5-16,27H,3-4H2,1-2H3,(H,23,26)/b15-9+,16-10+
InChIKeyCDSFDLBHBRGUQO-KAVGSWPWSA-N
MW364.45 g/mol
LogP3.95
Rot. Bonds8

About (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 11574132) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID11574132
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN(CC)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-3-24(4-2)20-13-11-19(12-14-20)21(25)15-9-17-5-7-18(8-6-17)10-16-22(26)23-27/h5-16,27H,3-4H2,1-2H3,(H,23,26)/b15-9+,16-10+
InChIKeyCDSFDLBHBRGUQO-KAVGSWPWSA-N
XLogP3.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 86039133
(Z)-3-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707390
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
(Z)-3-[4-(diethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54604270
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
CID 9155917
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]acetate
CID 8727219
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8684788
1-[4-(diethylamino)phenyl]but-2-en-1-one
CID 162367045
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11659345
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide (CID 11574132) is (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide is CCN(CC)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)cc2)cc1.
What is the InChIKey of (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is CDSFDLBHBRGUQO-KAVGSWPWSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-24(4-2)20-13-11-19(12-14-20)21(25)15-9-17-5-7-18(8-6-17)10-16-22(26)23-27/h5-16,27H,3-4H2,1-2H3,(H,23,26)/b15-9+,16-10+.
What are the key properties of (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11574132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).