methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate

C15H16N2O5 — CID 15369953

IUPACmethyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate
SMILESCOC(=O)Nc1ccc2c(c1)c(C(C)=O)c(C)n2C(=O)OC
InChIInChI=1S/C15H16N2O5/c1-8-13(9(2)18)11-7-10(16-14(19)21-3)5-6-12(11)17(8)15(20)22-4/h5-7H,1-4H3,(H,16,19)
InChIKeyVRADNRJZOPYSEK-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.95
Rot. Bonds2

About methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate

methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate (PubChem CID 15369953) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate
PubChem CID15369953
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namemethyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate
SMILESCOC(=O)Nc1ccc2c(c1)c(C(C)=O)c(C)n2C(=O)OC
InChIInChI=1S/C15H16N2O5/c1-8-13(9(2)18)11-7-10(16-14(19)21-3)5-6-12(11)17(8)15(20)22-4/h5-7H,1-4H3,(H,16,19)
InChIKeyVRADNRJZOPYSEK-UHFFFAOYSA-N
XLogP2.95
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-methylpyrido[3,4-b]indole-9-carboxylate
CID 161038199
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate
CID 90162227
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
N-(9-acetylcarbazol-3-yl)acetamide
CID 3326945
methyl N-(4-bromo-3-fluorophenyl)carbamate;molecular iodine
CID 159991921
methyl N-[3,5-bis(methoxycarbonylamino)-2-methylphenyl]carbamate
CID 149435265
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate
CID 102349315
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
methyl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656693

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate?
The IUPAC name of methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate (CID 15369953) is methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate.
What is the SMILES notation for methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate?
The canonical SMILES for methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate is COC(=O)Nc1ccc2c(c1)c(C(C)=O)c(C)n2C(=O)OC.
What is the InChIKey of methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate?
The InChIKey is VRADNRJZOPYSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8-13(9(2)18)11-7-10(16-14(19)21-3)5-6-12(11)17(8)15(20)22-4/h5-7H,1-4H3,(H,16,19).
What are the key properties of methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate?
methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate is sourced from PubChem (CID 15369953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).