methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate

C22H35N3O5 — CID 56542230

IUPACmethyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate
SMILESCOC(=O)C(C)(COc1ccccc1)NCC(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C22H35N3O5/c1-17(2)14-25-10-11-29-19(15-25)12-23-20(26)13-24-22(3,21(27)28-4)16-30-18-8-6-5-7-9-18/h5-9,17,19,24H,10-16H2,1-4H3,(H,23,26)
InChIKeyIYBGSNKTZWAJDR-UHFFFAOYSA-N
MW421.54 g/mol
LogP1.06
Rot. Bonds11

About methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate

methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate (PubChem CID 56542230) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate
PubChem CID56542230
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC Namemethyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate
SMILESCOC(=O)C(C)(COc1ccccc1)NCC(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C22H35N3O5/c1-17(2)14-25-10-11-29-19(15-25)12-23-20(26)13-24-22(3,21(27)28-4)16-30-18-8-6-5-7-9-18/h5-9,17,19,24H,10-16H2,1-4H3,(H,23,26)
InChIKeyIYBGSNKTZWAJDR-UHFFFAOYSA-N
XLogP1.06
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate with MolForge

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Related Compounds

2-(4-benzoylphenoxy)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 8511173
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 60594057
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35363430
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55622876
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111788656
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate?
The IUPAC name of methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate (CID 56542230) is methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate is COC(=O)C(C)(COc1ccccc1)NCC(=O)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate?
The InChIKey is IYBGSNKTZWAJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5/c1-17(2)14-25-10-11-29-19(15-25)12-23-20(26)13-24-22(3,21(27)28-4)16-30-18-8-6-5-7-9-18/h5-9,17,19,24H,10-16H2,1-4H3,(H,23,26).
What are the key properties of methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate?
methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate has a molecular weight of 421.54 g/mol, XLogP of 1.06, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate is sourced from PubChem (CID 56542230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).