1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

C25H31N3O4 — CID 70844556

IUPAC1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)COC)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H31N3O4/c1-4-31-20-12-13-21-22(14-20)28(19-6-5-7-19)24(23(21)26)17-8-10-18(11-9-17)27-25(29)32-16(2)15-30-3/h8-14,16,19H,4-7,15,26H2,1-3H3,(H,27,29)
InChIKeyQIKOZDOZJWBJFH-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.60
Rot. Bonds8

About 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 70844556) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
PubChem CID70844556
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)COC)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H31N3O4/c1-4-31-20-12-13-21-22(14-20)28(19-6-5-7-19)24(23(21)26)17-8-10-18(11-9-17)27-25(29)32-16(2)15-30-3/h8-14,16,19H,4-7,15,26H2,1-3H3,(H,27,29)
InChIKeyQIKOZDOZJWBJFH-UHFFFAOYSA-N
XLogP5.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 70825527
oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805428
[(1R)-1-cyclopropylethyl] N-[4-[3-amino-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]carbamate
CID 70825981
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate
CID 91350018
2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70859006
cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
CID 70805302
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
propan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethylsulfinylindol-2-yl)phenyl]carbamate
CID 71177353
1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate
CID 59426063
1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-ethylindol-2-yl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (CID 70844556) is 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is CCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)COC)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The InChIKey is QIKOZDOZJWBJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-4-31-20-12-13-21-22(14-20)28(19-6-5-7-19)24(23(21)26)17-8-10-18(11-9-17)27-25(29)32-16(2)15-30-3/h8-14,16,19H,4-7,15,26H2,1-3H3,(H,27,29).
What are the key properties of 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 437.54 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 70844556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).