2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate

C24H29N3O3 — CID 70844575

IUPAC2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate
SMILESCOc1ccc2c(c1)c(N)c(-c1ccc(NC(=O)OCC(C)C)cc1)n2C1CCC1
InChIInChI=1S/C24H29N3O3/c1-15(2)14-30-24(28)26-17-9-7-16(8-10-17)23-22(25)20-13-19(29-3)11-12-21(20)27(23)18-5-4-6-18/h7-13,15,18H,4-6,14,25H2,1-3H3,(H,26,28)
InChIKeyCCNRXYAESMMLCX-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.83
Rot. Bonds6

About 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate

2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 70844575) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate
PubChem CID70844575
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate
SMILESCOc1ccc2c(c1)c(N)c(-c1ccc(NC(=O)OCC(C)C)cc1)n2C1CCC1
InChIInChI=1S/C24H29N3O3/c1-15(2)14-30-24(28)26-17-9-7-16(8-10-17)23-22(25)20-13-19(29-3)11-12-21(20)27(23)18-5-4-6-18/h7-13,15,18H,4-6,14,25H2,1-3H3,(H,26,28)
InChIKeyCCNRXYAESMMLCX-UHFFFAOYSA-N
XLogP5.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
CID 70805302
propan-2-yl N-[4-[3-amino-1-cyclobutyl-5-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate
CID 70859314
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
propan-2-yl N-[4-[3-amino-1-cyclobutyl-5-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 70825668
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 70825527
2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70859006
[(1R)-1-cyclopropylethyl] N-[4-[3-amino-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 70859026
[(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-ethylsulfinylindol-2-yl)phenyl]carbamate
CID 71177353
2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine
CID 89344162
N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844247
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70844642

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate (CID 70844575) is 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate is COc1ccc2c(c1)c(N)c(-c1ccc(NC(=O)OCC(C)C)cc1)n2C1CCC1.
What is the InChIKey of 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is CCNRXYAESMMLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15(2)14-30-24(28)26-17-9-7-16(8-10-17)23-22(25)20-13-19(29-3)11-12-21(20)27(23)18-5-4-6-18/h7-13,15,18H,4-6,14,25H2,1-3H3,(H,26,28).
What are the key properties of 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate?
2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 407.51 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 70844575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).