methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate

C24H30N2O4 — CID 46483772

IUPACmethyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-17-14-26(15-18(2)30-17)16-19-9-11-21(12-10-19)24(28)25-22(13-23(27)29-3)20-7-5-4-6-8-20/h4-12,17-18,22H,13-16H2,1-3H3,(H,25,28)
InChIKeyKQYCUYMTAQAEDC-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.33
Rot. Bonds7

About methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate

methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate (PubChem CID 46483772) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate
PubChem CID46483772
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-17-14-26(15-18(2)30-17)16-19-9-11-21(12-10-19)24(28)25-22(13-23(27)29-3)20-7-5-4-6-8-20/h4-12,17-18,22H,13-16H2,1-3H3,(H,25,28)
InChIKeyKQYCUYMTAQAEDC-UHFFFAOYSA-N
XLogP3.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-2-phenylacetic acid
CID 124690072
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 124627933
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-2-phenylethyl)benzamide
CID 60543626
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119528441
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 124682570
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
(2S,3S)-2-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylpentanoic acid
CID 124684005
[2-oxo-2-(1-phenylbutylamino)ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55995069
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate
CID 47013808
methyl (3R)-3-(1,3-benzodioxole-5-carbonylamino)-3-phenylpropanoate
CID 41099386

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate (CID 46483772) is methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1ccccc1.
What is the InChIKey of methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate?
The InChIKey is KQYCUYMTAQAEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17-14-26(15-18(2)30-17)16-19-9-11-21(12-10-19)24(28)25-22(13-23(27)29-3)20-7-5-4-6-8-20/h4-12,17-18,22H,13-16H2,1-3H3,(H,25,28).
What are the key properties of methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate?
methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate has a molecular weight of 410.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 46483772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).