N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide

C21H24N2O3 — CID 51293034

IUPACN-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCC1CN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CCO1
InChIInChI=1S/C21H24N2O3/c1-16-15-23(12-13-26-16)20(24)14-19(17-8-4-2-5-9-17)22-21(25)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3,(H,22,25)
InChIKeyNNLVDGLDEIRIJU-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.80
Rot. Bonds5

About N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide

N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 51293034) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
PubChem CID51293034
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCC1CN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CCO1
InChIInChI=1S/C21H24N2O3/c1-16-15-23(12-13-26-16)20(24)14-19(17-8-4-2-5-9-17)22-21(25)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3,(H,22,25)
InChIKeyNNLVDGLDEIRIJU-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119404
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239507
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate
CID 7221898
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119638842
2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-N-[(1R)-1-phenylethyl]acetamide
CID 125141946

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide (CID 51293034) is N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide is CC1CN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CCO1.
What is the InChIKey of N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is NNLVDGLDEIRIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-15-23(12-13-26-16)20(24)14-19(17-8-4-2-5-9-17)22-21(25)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3,(H,22,25).
What are the key properties of N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 51293034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).