propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate

C24H28N4O4 — CID 70825527

IUPACpropan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1
InChIInChI=1S/C24H28N4O4/c1-14(2)32-24(30)27-16-8-6-15(7-9-16)23-22(26)19-11-10-18(31-13-21(25)29)12-20(19)28(23)17-4-3-5-17/h6-12,14,17H,3-5,13,26H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyLUXXOOWZOBTMEK-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.44
Rot. Bonds7

About propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate (PubChem CID 70825527) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
PubChem CID70825527
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namepropan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1
InChIInChI=1S/C24H28N4O4/c1-14(2)32-24(30)27-16-8-6-15(7-9-16)23-22(26)19-11-10-18(31-13-21(25)29)12-20(19)28(23)17-4-3-5-17/h6-12,14,17H,3-5,13,26H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyLUXXOOWZOBTMEK-UHFFFAOYSA-N
XLogP4.44
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 71176789
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 70825780
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70844642
propan-2-yl N-[4-[3-amino-6-[(Z)-3,4-bis(methylamino)but-3-enoxy]-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 71177518
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
[(1R)-1-cyclopropylethyl] N-[4-[3-amino-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]carbamate
CID 70825981
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate
CID 70826076
propan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethylsulfinylindol-2-yl)phenyl]carbamate
CID 71177353
[(1R)-1-cyclopropylethyl] N-[4-[3-amino-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 70859026
2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70859006
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
CID 70825578
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate
CID 91350018

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate (CID 70825527) is propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.
What is the InChIKey of propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate?
The InChIKey is LUXXOOWZOBTMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14(2)32-24(30)27-16-8-6-15(7-9-16)23-22(26)19-11-10-18(31-13-21(25)29)12-20(19)28(23)17-4-3-5-17/h6-12,14,17H,3-5,13,26H2,1-2H3,(H2,25,29)(H,27,30).
What are the key properties of propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate has a molecular weight of 436.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70825527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).