4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid

C21H22N2O5 — CID 119239627

IUPAC4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
SMILESO=C(NC(CC(=O)N1CCOC(C(=O)O)C1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O5/c24-19(23-11-12-28-18(14-23)21(26)27)13-17(15-7-3-1-4-8-15)22-20(25)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,22,25)(H,26,27)
InChIKeyKQMDFERKCRHFDQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.86
Rot. Bonds6

About 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid

4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid (PubChem CID 119239627) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
PubChem CID119239627
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
SMILESO=C(NC(CC(=O)N1CCOC(C(=O)O)C1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O5/c24-19(23-11-12-28-18(14-23)21(26)27)13-17(15-7-3-1-4-8-15)22-20(25)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,22,25)(H,26,27)
InChIKeyKQMDFERKCRHFDQ-UHFFFAOYSA-N
XLogP1.86
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239507
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
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
4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
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
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate
CID 7221898

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid (CID 119239627) is 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid is O=C(NC(CC(=O)N1CCOC(C(=O)O)C1)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid?
The InChIKey is KQMDFERKCRHFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-19(23-11-12-28-18(14-23)21(26)27)13-17(15-7-3-1-4-8-15)22-20(25)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,22,25)(H,26,27).
What are the key properties of 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid?
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).