methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate

C20H30N2O4 — CID 78883683

IUPACmethyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)C(C)C
InChIInChI=1S/C20H30N2O4/c1-14(2)22(13-19(23)25-5)20(24)18-8-6-17(7-9-18)12-21-10-15(3)26-16(4)11-21/h6-9,14-16H,10-13H2,1-5H3
InChIKeyXEGUUSMKGKPGFQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.32
Rot. Bonds6

About methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate

methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate (PubChem CID 78883683) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate
PubChem CID78883683
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)C(C)C
InChIInChI=1S/C20H30N2O4/c1-14(2)22(13-19(23)25-5)20(24)18-8-6-17(7-9-18)12-21-10-15(3)26-16(4)11-21/h6-9,14-16H,10-13H2,1-5H3
InChIKeyXEGUUSMKGKPGFQ-UHFFFAOYSA-N
XLogP2.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate with MolForge

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Related Compounds

4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
CID 171572082
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]-methylamino]propanoic acid
CID 125151546
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
CID 119362913
ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate
CID 55983785
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate
CID 46483772
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 124682570
(2S,3S)-2-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylpentanoic acid
CID 124684005
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-2-phenylethyl)benzamide
CID 60543626
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate (CID 78883683) is methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)C(C)C.
What is the InChIKey of methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate?
The InChIKey is XEGUUSMKGKPGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14(2)22(13-19(23)25-5)20(24)18-8-6-17(7-9-18)12-21-10-15(3)26-16(4)11-21/h6-9,14-16H,10-13H2,1-5H3.
What are the key properties of methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate?
methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate has a molecular weight of 362.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 78883683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).