4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide

C22H27N3O4 — CID 95143165

IUPAC4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc([C@@H](CNC(=O)CNC(=O)c2ccc(O)cc2)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O4/c1-16-3-2-4-18(13-16)20(25-9-11-29-12-10-25)14-23-21(27)15-24-22(28)17-5-7-19(26)8-6-17/h2-8,13,20,26H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyYHYUKQULCATJHS-HXUWFJFHSA-N
MW397.48 g/mol
LogP1.62
Rot. Bonds7

About 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide

4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 95143165) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID95143165
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc([C@@H](CNC(=O)CNC(=O)c2ccc(O)cc2)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O4/c1-16-3-2-4-18(13-16)20(25-9-11-29-12-10-25)14-23-21(27)15-24-22(28)17-5-7-19(26)8-6-17/h2-8,13,20,26H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyYHYUKQULCATJHS-HXUWFJFHSA-N
XLogP1.62
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 55659969
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110304128
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide (CID 95143165) is 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide is Cc1cccc([C@@H](CNC(=O)CNC(=O)c2ccc(O)cc2)N2CCOCC2)c1.
What is the InChIKey of 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is YHYUKQULCATJHS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-3-2-4-18(13-16)20(25-9-11-29-12-10-25)14-23-21(27)15-24-22(28)17-5-7-19(26)8-6-17/h2-8,13,20,26H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)/t20-/m1/s1.
What are the key properties of 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide?
4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 95143165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).