methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate

C19H26N2O4 — CID 70118140

IUPACmethyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ccc(C)cc12
InChIInChI=1S/C19H26N2O4/c1-13-7-8-16-14(11-13)15(17(22)24-5)12-21(16)10-6-9-20-18(23)25-19(2,3)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,23)
InChIKeyHRYPDHJFCHZAHT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.65
Rot. Bonds5

About methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate

methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate (PubChem CID 70118140) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate
PubChem CID70118140
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namemethyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ccc(C)cc12
InChIInChI=1S/C19H26N2O4/c1-13-7-8-16-14(11-13)15(17(22)24-5)12-21(16)10-6-9-20-18(23)25-19(2,3)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,23)
InChIKeyHRYPDHJFCHZAHT-UHFFFAOYSA-N
XLogP3.65
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-chloro-4-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-3-carboxylate
CID 123950815
methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1-oxoisoquinoline-7-carboxylate
CID 67282042
methyl 6-(2-chloro-4-methylphenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzimidazole-4-carboxylate
CID 166519198
methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740
methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
CID 58875117
tert-butyl N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 10137433
tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
CID 90220378
tert-butyl N-[3-(6,7,10,11-tetramethoxy-1-oxophenanthro[9,10-c]pyridin-2-yl)propyl]carbamate
CID 71534013
tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate
CID 155485948
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 171845228

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate?
The IUPAC name of methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate (CID 70118140) is methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate is COC(=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ccc(C)cc12.
What is the InChIKey of methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate?
The InChIKey is HRYPDHJFCHZAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-7-8-16-14(11-13)15(17(22)24-5)12-21(16)10-6-9-20-18(23)25-19(2,3)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,23).
What are the key properties of methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate?
methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate is sourced from PubChem (CID 70118140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).