methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate

C21H30N4O7 — CID 177128218

IUPACmethyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C21H30N4O7/c1-22(12-18(27)24(3)14-20(29)31-5)17(26)11-23(2)19(28)13-25(4)21(30)32-15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3
InChIKeyBHJAMCXBVNNCCX-UHFFFAOYSA-N
MW450.49 g/mol
LogP-0.20
Rot. Bonds10

About methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate

methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate (PubChem CID 177128218) has the molecular formula C21H30N4O7 and a molecular weight of 450.49 g/mol. Its IUPAC name is methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
PubChem CID177128218
Molecular FormulaC21H30N4O7
Molecular Weight450.49 g/mol
Exact Mass450.21
IUPAC Namemethyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C21H30N4O7/c1-22(12-18(27)24(3)14-20(29)31-5)17(26)11-23(2)19(28)13-25(4)21(30)32-15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3
InChIKeyBHJAMCXBVNNCCX-UHFFFAOYSA-N
XLogP-0.20
TPSA116.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid
CID 138694680
benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate
CID 170615975
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
4-[2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]ethyl]benzoic acid
CID 174478918
(4-nitrophenyl) 2-[methyl(phenylmethoxycarbonyl)amino]acetate
CID 21283416
benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate
CID 146186944
benzyl N-[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 44724470
methyl 2-[phenylmethoxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]acetate
CID 11645787
methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
CID 15899479

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate (CID 177128218) is methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate is COC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)OCc1ccccc1.
What is the InChIKey of methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The InChIKey is BHJAMCXBVNNCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O7/c1-22(12-18(27)24(3)14-20(29)31-5)17(26)11-23(2)19(28)13-25(4)21(30)32-15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3.
What are the key properties of methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate has a molecular weight of 450.49 g/mol, XLogP of -0.20, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 177128218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).