tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate

C27H27NO4 — CID 101471851

IUPACtert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate
SMILESCC(=O)CCC1(c2ccc3ccccc3c2)C(=O)N(C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C27H27NO4/c1-18(29)15-16-27(21-14-13-19-9-5-6-10-20(19)17-21)22-11-7-8-12-23(22)28(24(27)30)25(31)32-26(2,3)4/h5-14,17H,15-16H2,1-4H3
InChIKeyOLLOEEKXBLDYOW-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.78
Rot. Bonds4

About tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate

tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate (PubChem CID 101471851) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate
PubChem CID101471851
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Nametert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate
SMILESCC(=O)CCC1(c2ccc3ccccc3c2)C(=O)N(C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C27H27NO4/c1-18(29)15-16-27(21-14-13-19-9-5-6-10-20(19)17-21)22-11-7-8-12-23(22)28(24(27)30)25(31)32-26(2,3)4/h5-14,17H,15-16H2,1-4H3
InChIKeyOLLOEEKXBLDYOW-UHFFFAOYSA-N
XLogP5.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate 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 (3S)-3-(4-methylphenyl)-2-oxo-3-(3-oxobutyl)indole-1-carboxylate
CID 164679025
tert-butyl (3S)-3-(3-chlorophenyl)-2-oxo-3-(3-oxobutyl)indole-1-carboxylate
CID 164676854
tert-butyl (3S)-3-(4-methylphenyl)-2-oxo-3-(3-oxopropyl)indole-1-carboxylate
CID 164678521
tert-butyl (3S)-3-[2-(methylamino)-2-oxoethyl]-2-oxo-3-phenylindole-1-carboxylate
CID 102584446
tert-butyl (2R)-2-benzyl-2-naphthalen-2-yl-3-oxo-1,4-benzoxazine-4-carboxylate
CID 139188751
tert-butyl (3R)-3-benzyl-3-ethyl-2-oxoindole-1-carboxylate
CID 56966781
tert-butyl (3R)-3-(2-methylprop-1-enyl)-2-oxo-3-phenylindole-1-carboxylate
CID 132549126
tert-butyl (3R)-3-buta-2,3-dienyl-3-(4-methoxy-2-methylphenyl)-2-oxoindole-1-carboxylate
CID 166807817
tert-butyl (3S)-3-(hydroxymethyl)-3-[(4-methylphenyl)methyl]-2-oxoindole-1-carboxylate
CID 46867697
tert-butyl 3-[2-(methoxycarbonylamino)ethyl]-3-[3-[2-(methoxycarbonylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]-2-oxoindole-1-carboxylate
CID 72662430
tert-butyl 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)-3-[(3-methoxyphenyl)methyl]-2-oxoindole-1-carboxylate
CID 102129830
tert-butyl (3R)-3-[2-(benzenesulfonyl)ethyl]-5-fluoro-2-oxo-3-phenylindole-1-carboxylate
CID 56840078

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate?
The IUPAC name of tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate (CID 101471851) is tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate is CC(=O)CCC1(c2ccc3ccccc3c2)C(=O)N(C(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate?
The InChIKey is OLLOEEKXBLDYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-18(29)15-16-27(21-14-13-19-9-5-6-10-20(19)17-21)22-11-7-8-12-23(22)28(24(27)30)25(31)32-26(2,3)4/h5-14,17H,15-16H2,1-4H3.
What are the key properties of tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate?
tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate has a molecular weight of 429.52 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-naphthalen-2-yl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate is sourced from PubChem (CID 101471851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).