methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate

C18H26N2O4 — CID 124737977

IUPACmethyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate
SMILESCC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-4-14(2)20(13-17(21)23-3)18(22)15-5-7-16(8-6-15)19-9-11-24-12-10-19/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1
InChIKeyQKXPEMVIYMNKTE-AWEZNQCLSA-N
MW334.42 g/mol
LogP1.94
Rot. Bonds6

About methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate

methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate (PubChem CID 124737977) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate
PubChem CID124737977
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate
SMILESCC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-4-14(2)20(13-17(21)23-3)18(22)15-5-7-16(8-6-15)19-9-11-24-12-10-19/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1
InChIKeyQKXPEMVIYMNKTE-AWEZNQCLSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate with MolForge

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Related Compounds

N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 42920355
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
N-cyclopentyl-N-methyl-4-morpholin-4-ylbenzamide
CID 43910092
N-butan-2-yl-4-methoxy-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
CID 42842164
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
CID 111464498
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
N-[2-(diethylamino)propyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110620370
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate (CID 124737977) is methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate is CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate?
The InChIKey is QKXPEMVIYMNKTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-14(2)20(13-17(21)23-3)18(22)15-5-7-16(8-6-15)19-9-11-24-12-10-19/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1.
What are the key properties of methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate?
methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate has a molecular weight of 334.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate is sourced from PubChem (CID 124737977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).