tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate

C20H31N3O3 — CID 46872447

IUPACtert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NC(=O)OC(C)(C)C)NCC2
InChIInChI=1S/C20H31N3O3/c1-11-13-9-10-21-16(13)15(22-17(24)19(3,4)5)12(2)14(11)23-18(25)26-20(6,7)8/h21H,9-10H2,1-8H3,(H,22,24)(H,23,25)
InChIKeyQSZJZRAJIPTLFK-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.60
Rot. Bonds2

About tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate

tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate (PubChem CID 46872447) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate
PubChem CID46872447
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NC(=O)OC(C)(C)C)NCC2
InChIInChI=1S/C20H31N3O3/c1-11-13-9-10-21-16(13)15(22-17(24)19(3,4)5)12(2)14(11)23-18(25)26-20(6,7)8/h21H,9-10H2,1-8H3,(H,22,24)(H,23,25)
InChIKeyQSZJZRAJIPTLFK-UHFFFAOYSA-N
XLogP4.60
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate (CID 46872447) is tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate is Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NC(=O)OC(C)(C)C)NCC2.
What is the InChIKey of tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate?
The InChIKey is QSZJZRAJIPTLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-11-13-9-10-21-16(13)15(22-17(24)19(3,4)5)12(2)14(11)23-18(25)26-20(6,7)8/h21H,9-10H2,1-8H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate?
tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 4.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate is sourced from PubChem (CID 46872447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).