N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

C23H26N2O4 — CID 2790304

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C23H26N2O4/c1-16-14-25(15-17(2)29-16)23(27)21(13-18-9-11-20(28-3)12-10-18)24-22(26)19-7-5-4-6-8-19/h4-13,16-17H,14-15H2,1-3H3,(H,24,26)
InChIKeyFVLCKTUZJJIFKD-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.10
Rot. Bonds5

About N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 2790304) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID2790304
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C23H26N2O4/c1-16-14-25(15-17(2)29-16)23(27)21(13-18-9-11-20(28-3)12-10-18)24-22(26)19-7-5-4-6-8-19/h4-13,16-17H,14-15H2,1-3H3,(H,24,26)
InChIKeyFVLCKTUZJJIFKD-UHFFFAOYSA-N
XLogP3.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6560976
N-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3090292
N-[3-(dimethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 740454
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
N-[(Z)-3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 155011691
N-[3-(4-methylpiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 680553
N-[(E)-3-anilino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1083661
N-[1-(4-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 1324039
N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 92982413
1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
CID 2939984
N-[(Z)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
CID 42558342
N-[(Z)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
CID 92504518

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 2790304) is N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is FVLCKTUZJJIFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-14-25(15-17(2)29-16)23(27)21(13-18-9-11-20(28-3)12-10-18)24-22(26)19-7-5-4-6-8-19/h4-13,16-17H,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2790304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).