2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate

C23H28N2O4 — CID 22162806

IUPAC2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N(CCOC(=O)N1CCc2ccccc21)Cc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-21(26)24(17-18-9-5-4-6-10-18)15-16-28-22(27)25-14-13-19-11-7-8-12-20(19)25/h4-12H,13-17H2,1-3H3
InChIKeyVLLSPLHZEOQXRE-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.62
Rot. Bonds5

About 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate

2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate (PubChem CID 22162806) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate
PubChem CID22162806
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N(CCOC(=O)N1CCc2ccccc21)Cc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-21(26)24(17-18-9-5-4-6-10-18)15-16-28-22(27)25-14-13-19-11-7-8-12-20(19)25/h4-12H,13-17H2,1-3H3
InChIKeyVLLSPLHZEOQXRE-UHFFFAOYSA-N
XLogP4.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate
CID 165352292
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl 3-[2-[2-[2-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172946115
N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
CID 59393893
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate
CID 165471508
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate?
The IUPAC name of 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate (CID 22162806) is 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N(CCOC(=O)N1CCc2ccccc21)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate?
The InChIKey is VLLSPLHZEOQXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(2,3)29-21(26)24(17-18-9-5-4-6-10-18)15-16-28-22(27)25-14-13-19-11-7-8-12-20(19)25/h4-12H,13-17H2,1-3H3.
What are the key properties of 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate?
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 22162806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).