tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate

C17H24N4O5 — CID 175199905

IUPACtert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate
SMILESCC(COCc1cc([N+](=O)[O-])c2cn(C)nc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N4O5/c1-11(18-16(22)26-17(2,3)4)9-25-10-12-6-14-13(8-20(5)19-14)15(7-12)21(23)24/h6-8,11H,9-10H2,1-5H3,(H,18,22)
InChIKeyNVVPNIMAXVUNGX-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.91
Rot. Bonds6

About tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate

tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate (PubChem CID 175199905) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate
PubChem CID175199905
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Nametert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate
SMILESCC(COCc1cc([N+](=O)[O-])c2cn(C)nc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N4O5/c1-11(18-16(22)26-17(2,3)4)9-25-10-12-6-14-13(8-20(5)19-14)15(7-12)21(23)24/h6-8,11H,9-10H2,1-5H3,(H,18,22)
InChIKeyNVVPNIMAXVUNGX-UHFFFAOYSA-N
XLogP2.91
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R)-1-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-nitrophenyl]methoxy]propan-2-yl]carbamate
CID 177331796
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
CID 66706655
tert-butyl N-[(2S)-1-[(4-chloro-5-nitro-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 86731217
tert-butyl N-[5-chloro-3-[1-[(3-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-ylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 155103062
tert-butyl N-[1-[[3-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]propan-2-yl]carbamate
CID 167100847
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid
CID 155102985
tert-butyl N-[3-[[(2R)-1-[(3-bromo-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 164786194
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
CID 167100726
tert-butyl N-[(2S)-1-(2-nitroanilino)propan-2-yl]carbamate
CID 129397779
tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate
CID 177331676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate (CID 175199905) is tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate is CC(COCc1cc([N+](=O)[O-])c2cn(C)nc2c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate?
The InChIKey is NVVPNIMAXVUNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-11(18-16(22)26-17(2,3)4)9-25-10-12-6-14-13(8-20(5)19-14)15(7-12)21(23)24/h6-8,11H,9-10H2,1-5H3,(H,18,22).
What are the key properties of tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate?
tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate has a molecular weight of 364.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate is sourced from PubChem (CID 175199905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).