tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate

C16H21N3O4 — CID 170985086

IUPACtert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate
SMILESCCOC(=O)Nc1cc(NC(=O)OC(C)(C)C)c2cc[nH]c2c1
InChIInChI=1S/C16H21N3O4/c1-5-22-14(20)18-10-8-12-11(6-7-17-12)13(9-10)19-15(21)23-16(2,3)4/h6-9,17H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPTSYSWXMOHXVBB-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate

tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate (PubChem CID 170985086) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate
PubChem CID170985086
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nametert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate
SMILESCCOC(=O)Nc1cc(NC(=O)OC(C)(C)C)c2cc[nH]c2c1
InChIInChI=1S/C16H21N3O4/c1-5-22-14(20)18-10-8-12-11(6-7-17-12)13(9-10)19-15(21)23-16(2,3)4/h6-9,17H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPTSYSWXMOHXVBB-UHFFFAOYSA-N
XLogP4.08
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
CID 59615247
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-[4-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)phenyl]carbamate
CID 68939473
tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate
CID 155193678
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-[2-fluoro-5-(1H-pyrrol-2-ylmethylamino)phenyl]carbamate
CID 107240582
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
tert-butyl N-[7-(aminomethyl)-3H-benzimidazol-5-yl]carbamate
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ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate (CID 170985086) is tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate is CCOC(=O)Nc1cc(NC(=O)OC(C)(C)C)c2cc[nH]c2c1.
What is the InChIKey of tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate?
The InChIKey is PTSYSWXMOHXVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-5-22-14(20)18-10-8-12-11(6-7-17-12)13(9-10)19-15(21)23-16(2,3)4/h6-9,17H,5H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate?
tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate has a molecular weight of 319.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(ethoxycarbonylamino)-1H-indol-4-yl]carbamate is sourced from PubChem (CID 170985086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).