N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

C18H18N2O3 — CID 6244466

IUPACN-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(C)C(=O)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(2)18(23)16(12-13-8-10-15(21)11-9-13)19-17(22)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,19,22)/b16-12+
InChIKeySRPPCAZZEVDDDP-FOWTUZBSSA-N
MW310.35 g/mol
LogP2.25
Rot. Bonds4

About N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 6244466) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID6244466
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(C)C(=O)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(2)18(23)16(12-13-8-10-15(21)11-9-13)19-17(22)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,19,22)/b16-12+
InChIKeySRPPCAZZEVDDDP-FOWTUZBSSA-N
XLogP2.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.25
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

N-[(E)-1-(4-cyanophenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5369515
N-[3-(dimethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 740454
N-[1-(4-hydroxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1355117
(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
CID 29278022
N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 20831443
methyl N-[(E)-3-(dimethylamino)-3-oxo-1-phenylprop-1-en-2-yl]carbamate
CID 167060738
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate
CID 2836676
N-[1-(4-hydroxyphenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 3972655
N-[(Z)-3-(2-tert-butylhydrazinyl)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 6513226
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
N-[(Z)-3-(dimethylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-methylbenzamide
CID 75408821

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 6244466) is N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is CN(C)C(=O)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is SRPPCAZZEVDDDP-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(2)18(23)16(12-13-8-10-15(21)11-9-13)19-17(22)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,19,22)/b16-12+.
What are the key properties of N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6244466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).