methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate

C17H26N2O6 — CID 164580250

IUPACmethyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
SMILESCOC(=O)c1cc(OCCCNC(=O)OC(C)(C)C)c(OC)cc1N
InChIInChI=1S/C17H26N2O6/c1-17(2,3)25-16(21)19-7-6-8-24-14-9-11(15(20)23-5)12(18)10-13(14)22-4/h9-10H,6-8,18H2,1-5H3,(H,19,21)
InChIKeyMIEGAZWFLDCDKN-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.36
Rot. Bonds7

About methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate

methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate (PubChem CID 164580250) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
PubChem CID164580250
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Namemethyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
SMILESCOC(=O)c1cc(OCCCNC(=O)OC(C)(C)C)c(OC)cc1N
InChIInChI=1S/C17H26N2O6/c1-17(2,3)25-16(21)19-7-6-8-24-14-9-11(15(20)23-5)12(18)10-13(14)22-4/h9-10H,6-8,18H2,1-5H3,(H,19,21)
InChIKeyMIEGAZWFLDCDKN-UHFFFAOYSA-N
XLogP2.36
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate with MolForge

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Related Compounds

methyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 67283586
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate
CID 164576734
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
methyl 3-amino-7-(3-chloropropoxy)-6-methoxynaphthalene-2-carboxylate
CID 10936217
methyl 2-hydroxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 3316729
tert-butyl N-[3-(2-methoxy-5-nitrophenoxy)propyl]carbamate
CID 142777700
tert-butyl N-[3-(2-amino-4-methylsulfonylphenoxy)propyl]carbamate
CID 167530149
methyl 5-bromo-4-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate
CID 135304474
[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] N-[3-[[6,13,20-trimethoxy-12,19-bis[3-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]carbonylamino]propoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]propyl]carbamate
CID 100996389
methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
CID 135136562
tert-butyl N-[2-[4-(1-aminoethyl)-2-methoxyphenoxy]ethyl]carbamate
CID 66552517

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate?
The IUPAC name of methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate (CID 164580250) is methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate.
What is the SMILES notation for methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate?
The canonical SMILES for methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate is COC(=O)c1cc(OCCCNC(=O)OC(C)(C)C)c(OC)cc1N.
What is the InChIKey of methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate?
The InChIKey is MIEGAZWFLDCDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-17(2,3)25-16(21)19-7-6-8-24-14-9-11(15(20)23-5)12(18)10-13(14)22-4/h9-10H,6-8,18H2,1-5H3,(H,19,21).
What are the key properties of methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate?
methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate has a molecular weight of 354.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate is sourced from PubChem (CID 164580250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).