2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide

C22H27N3O3 — CID 8785626

IUPAC2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-8-10-19(11-9-17)23-20(26)16-24(2)21(18-6-4-3-5-7-18)22(27)25-12-14-28-15-13-25/h3-11,21H,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeySEJPDRALKBTOHI-NRFANRHFSA-N
MW381.48 g/mol
LogP2.47
Rot. Bonds6

About 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 8785626) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID8785626
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-8-10-19(11-9-17)23-20(26)16-24(2)21(18-6-4-3-5-7-18)22(27)25-12-14-28-15-13-25/h3-11,21H,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeySEJPDRALKBTOHI-NRFANRHFSA-N
XLogP2.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dimethyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8785935
2-[methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-N-propan-2-ylacetamide
CID 8913700
N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43021751
N-methyl-4-[[methyl-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9125046
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9053195
(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9289300
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-acetamidophenyl)-2-[ethyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]acetamide
CID 8791437
N-(3-methoxyphenyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 4883661
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 40855767
(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 39973215
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide (CID 8785626) is 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is SEJPDRALKBTOHI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-8-10-19(11-9-17)23-20(26)16-24(2)21(18-6-4-3-5-7-18)22(27)25-12-14-28-15-13-25/h3-11,21H,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1.
What are the key properties of 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8785626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).