methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate

C24H39N3O7 — CID 143769720

IUPACmethoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate
SMILESCOC(=O)CNC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC(C)(C)C.COCc1ccccc1
InChIInChI=1S/C16H29N3O6.C8H10O/c1-10(13(21)17-9-12(20)24-8)18(6)14(22)11(2)19(7)15(23)25-16(3,4)5;1-9-7-8-5-3-2-4-6-8/h10-11H,9H2,1-8H3,(H,17,21);2-6H,7H2,1H3
InChIKeyJJGCUBDRLDDHKD-UHFFFAOYSA-N
MW481.59 g/mol
LogP2.21
Rot. Bonds8

About methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate

methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate (PubChem CID 143769720) has the molecular formula C24H39N3O7 and a molecular weight of 481.59 g/mol. Its IUPAC name is methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate.

Molecular Properties

Compound Namemethoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate
PubChem CID143769720
Molecular FormulaC24H39N3O7
Molecular Weight481.59 g/mol
Exact Mass481.28
IUPAC Namemethoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate
SMILESCOC(=O)CNC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC(C)(C)C.COCc1ccccc1
InChIInChI=1S/C16H29N3O6.C8H10O/c1-10(13(21)17-9-12(20)24-8)18(6)14(22)11(2)19(7)15(23)25-16(3,4)5;1-9-7-8-5-3-2-4-6-8/h10-11H,9H2,1-8H3,(H,17,21);2-6H,7H2,1H3
InChIKeyJJGCUBDRLDDHKD-UHFFFAOYSA-N
XLogP2.21
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate with MolForge

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Related Compounds

(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 122703485
benzyl (3S)-4-[(2-methoxy-2-oxoethyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 156621116
benzyl 4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyloxy]butanoate
CID 160546469
2-[benzyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
CID 175075361
benzyl (3R)-3-methyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 158977927
methyl (3S)-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxyamino)butanoate
CID 138963976
(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]propanoic acid
CID 167069743
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
CID 10383504
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylmethoxybutanoic acid
CID 4623807
tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
CID 69221436
(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-[methyl-[(2S)-2-[methyl-[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxohexanoic acid
CID 164977053

Frequently Asked Questions

What is the IUPAC name of methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate?
The IUPAC name of methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate (CID 143769720) is methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate.
What is the SMILES notation for methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate?
The canonical SMILES for methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate is COC(=O)CNC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC(C)(C)C.COCc1ccccc1.
What is the InChIKey of methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate?
The InChIKey is JJGCUBDRLDDHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O6.C8H10O/c1-10(13(21)17-9-12(20)24-8)18(6)14(22)11(2)19(7)15(23)25-16(3,4)5;1-9-7-8-5-3-2-4-6-8/h10-11H,9H2,1-8H3,(H,17,21);2-6H,7H2,1H3.
What are the key properties of methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate?
methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate has a molecular weight of 481.59 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylbenzene;methyl 2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]propanoylamino]acetate is sourced from PubChem (CID 143769720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).