tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate

C19H27N3O4 — CID 11772838

IUPACtert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate
SMILESCC(=O)N1CCc2c(C)c(CC(N)=O)c(C)c(NC(=O)OC(C)(C)C)c21
InChIInChI=1S/C19H27N3O4/c1-10-13-7-8-22(12(3)23)17(13)16(11(2)14(10)9-15(20)24)21-18(25)26-19(4,5)6/h7-9H2,1-6H3,(H2,20,24)(H,21,25)
InChIKeyVHFDKDIXJMOWTJ-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate

tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate (PubChem CID 11772838) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate
PubChem CID11772838
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate
SMILESCC(=O)N1CCc2c(C)c(CC(N)=O)c(C)c(NC(=O)OC(C)(C)C)c21
InChIInChI=1S/C19H27N3O4/c1-10-13-7-8-22(12(3)23)17(13)16(11(2)14(10)9-15(20)24)21-18(25)26-19(4,5)6/h7-9H2,1-6H3,(H2,20,24)(H,21,25)
InChIKeyVHFDKDIXJMOWTJ-UHFFFAOYSA-N
XLogP2.59
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate with MolForge

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Related Compounds

2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(6-methylheptyl)-2,3-dihydroindol-5-yl]acetic acid
CID 68754753
tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate
CID 58895114
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate
CID 46872924
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
3-[2,3,5,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoic acid
CID 57137772
tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
CID 155390204
tert-butyl 7-[3-amino-7-fluoro-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 146463274
2-[4-hydroxy-3-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 54281589
tert-butyl N-[4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
CID 19100702
tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate
CID 46872447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate?
The IUPAC name of tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate (CID 11772838) is tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate is CC(=O)N1CCc2c(C)c(CC(N)=O)c(C)c(NC(=O)OC(C)(C)C)c21.
What is the InChIKey of tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate?
The InChIKey is VHFDKDIXJMOWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-10-13-7-8-22(12(3)23)17(13)16(11(2)14(10)9-15(20)24)21-18(25)26-19(4,5)6/h7-9H2,1-6H3,(H2,20,24)(H,21,25).
What are the key properties of tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate?
tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate has a molecular weight of 361.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate is sourced from PubChem (CID 11772838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).