methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate

C18H25N3O5 — CID 8711615

IUPACmethyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN(C)CC(=O)N2CCOCC2)c1
InChIInChI=1S/C18H25N3O5/c1-13-4-5-14(18(24)25-3)10-15(13)19-16(22)11-20(2)12-17(23)21-6-8-26-9-7-21/h4-5,10H,6-9,11-12H2,1-3H3,(H,19,22)
InChIKeyXUFBUXXQVODNDF-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.51
Rot. Bonds6

About methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate

methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate (PubChem CID 8711615) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate
PubChem CID8711615
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Namemethyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN(C)CC(=O)N2CCOCC2)c1
InChIInChI=1S/C18H25N3O5/c1-13-4-5-14(18(24)25-3)10-15(13)19-16(22)11-20(2)12-17(23)21-6-8-26-9-7-21/h4-5,10H,6-9,11-12H2,1-3H3,(H,19,22)
InChIKeyXUFBUXXQVODNDF-UHFFFAOYSA-N
XLogP0.51
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711369
methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylbenzoate
CID 32701380
N-(2-benzoylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711533
methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate
CID 51170598
N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711481
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
CID 120592838
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555
N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807710
N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711621
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate (CID 8711615) is methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)CN(C)CC(=O)N2CCOCC2)c1.
What is the InChIKey of methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate?
The InChIKey is XUFBUXXQVODNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-13-4-5-14(18(24)25-3)10-15(13)19-16(22)11-20(2)12-17(23)21-6-8-26-9-7-21/h4-5,10H,6-9,11-12H2,1-3H3,(H,19,22).
What are the key properties of methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate?
methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate has a molecular weight of 363.41 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 8711615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).