N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

C16H22ClN3O3 — CID 8711369

IUPACN-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCOCC1
InChIInChI=1S/C16H22ClN3O3/c1-12-3-4-13(17)9-14(12)18-15(21)10-19(2)11-16(22)20-5-7-23-8-6-20/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyCBWWIBRBHIZRCM-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.38
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (PubChem CID 8711369) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
PubChem CID8711369
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCOCC1
InChIInChI=1S/C16H22ClN3O3/c1-12-3-4-13(17)9-14(12)18-15(21)10-19(2)11-16(22)20-5-7-23-8-6-20/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyCBWWIBRBHIZRCM-UHFFFAOYSA-N
XLogP1.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate
CID 8711615
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
N-(2-benzoylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711533
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide
CID 126259552
N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807710
N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide
CID 55328616
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (CID 8711369) is N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is Cc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The InChIKey is CBWWIBRBHIZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-12-3-4-13(17)9-14(12)18-15(21)10-19(2)11-16(22)20-5-7-23-8-6-20/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide has a molecular weight of 339.82 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 8711369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).