tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate

C23H30N2O3 — CID 122400371

IUPACtert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)cc1[C@]1(C)c2cccc(C)c2N[C@@H]1C
InChIInChI=1S/C23H30N2O3/c1-14-9-8-10-17-20(14)24-15(2)23(17,6)18-13-16(11-12-19(18)27-7)25-21(26)28-22(3,4)5/h8-13,15,24H,1-7H3,(H,25,26)/t15-,23+/m1/s1
InChIKeyKUSVSNGLQDMKRV-CMJOXMDJSA-N
MW382.50 g/mol
LogP5.47
Rot. Bonds3

About tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate

tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate (PubChem CID 122400371) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate
PubChem CID122400371
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Nametert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)cc1[C@]1(C)c2cccc(C)c2N[C@@H]1C
InChIInChI=1S/C23H30N2O3/c1-14-9-8-10-17-20(14)24-15(2)23(17,6)18-13-16(11-12-19(18)27-7)25-21(26)28-22(3,4)5/h8-13,15,24H,1-7H3,(H,25,26)/t15-,23+/m1/s1
InChIKeyKUSVSNGLQDMKRV-CMJOXMDJSA-N
XLogP5.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
tert-butyl N-[4-methoxy-3-[(3S)-2,3,5-trimethylindol-3-yl]phenyl]carbamate
CID 122400359
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987219
tert-butyl N-[4-(hydroxymethyl)-3-methoxyphenyl]carbamate
CID 117236522
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
CID 130632560
ethyl (4R)-6-[[2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 99795062
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
tert-butyl N-[1,1,1',1'-tetramethyl-5'-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3'-spirobi[2H-indene]-5-yl]carbamate
CID 153378805
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
CID 164562081
CID 164562081
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate (CID 122400371) is tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate is COc1ccc(NC(=O)OC(C)(C)C)cc1[C@]1(C)c2cccc(C)c2N[C@@H]1C.
What is the InChIKey of tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate?
The InChIKey is KUSVSNGLQDMKRV-CMJOXMDJSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-14-9-8-10-17-20(14)24-15(2)23(17,6)18-13-16(11-12-19(18)27-7)25-21(26)28-22(3,4)5/h8-13,15,24H,1-7H3,(H,25,26)/t15-,23+/m1/s1.
What are the key properties of tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate?
tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate has a molecular weight of 382.50 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methoxy-3-[(2R,3S)-2,3,7-trimethyl-1,2-dihydroindol-3-yl]phenyl]carbamate is sourced from PubChem (CID 122400371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).