4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide

C22H27N3O3 — CID 18166767

IUPAC4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-17(26)23-15-18-7-9-20(10-8-18)22(27)24-21(19-5-3-2-4-6-19)16-25-11-13-28-14-12-25/h2-10,21H,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyGZYRQEATTSMBND-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.13
Rot. Bonds7

About 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide

4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide (PubChem CID 18166767) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
PubChem CID18166767
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-17(26)23-15-18-7-9-20(10-8-18)22(27)24-21(19-5-3-2-4-6-19)16-25-11-13-28-14-12-25/h2-10,21H,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyGZYRQEATTSMBND-UHFFFAOYSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 112834585
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 9149139
4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444660
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide (CID 18166767) is 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide is CC(=O)NCc1ccc(C(=O)NC(CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide?
The InChIKey is GZYRQEATTSMBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(26)23-15-18-7-9-20(10-8-18)22(27)24-21(19-5-3-2-4-6-19)16-25-11-13-28-14-12-25/h2-10,21H,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide?
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide is sourced from PubChem (CID 18166767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).