3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide

C21H25N3O3 — CID 56914703

IUPAC3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CC2COCCN2CCc2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c22-21(26)17-7-4-8-18(13-17)23-20(25)14-19-15-27-12-11-24(19)10-9-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H2,22,26)(H,23,25)
InChIKeyJZCVTSSOZPDSOH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.06
Rot. Bonds7

About 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide

3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide (PubChem CID 56914703) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
PubChem CID56914703
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CC2COCCN2CCc2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c22-21(26)17-7-4-8-18(13-17)23-20(25)14-19-15-27-12-11-24(19)10-9-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H2,22,26)(H,23,25)
InChIKeyJZCVTSSOZPDSOH-UHFFFAOYSA-N
XLogP2.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43613218
N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43542143
2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 95871990
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
CID 64612243
2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone
CID 99855759
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
CID 56897356
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide
CID 136525958
2-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-N-phenylacetamide
CID 99699219

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide (CID 56914703) is 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CC2COCCN2CCc2ccccc2)c1.
What is the InChIKey of 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide?
The InChIKey is JZCVTSSOZPDSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-21(26)17-7-4-8-18(13-17)23-20(25)14-19-15-27-12-11-24(19)10-9-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H2,22,26)(H,23,25).
What are the key properties of 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide?
3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide is sourced from PubChem (CID 56914703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).