tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate

C22H22N2O5 — CID 166446646

IUPACtert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate
SMILESCOc1ccc2c(c1)cc(C(=O)NC(=O)OC(C)(C)C)n2C(=O)c1ccccc1
InChIInChI=1S/C22H22N2O5/c1-22(2,3)29-21(27)23-19(25)18-13-15-12-16(28-4)10-11-17(15)24(18)20(26)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,23,25,27)
InChIKeyZKACFMVDEMZNBG-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.00
Rot. Bonds3

About tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate

tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate (PubChem CID 166446646) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate
PubChem CID166446646
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Nametert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate
SMILESCOc1ccc2c(c1)cc(C(=O)NC(=O)OC(C)(C)C)n2C(=O)c1ccccc1
InChIInChI=1S/C22H22N2O5/c1-22(2,3)29-21(27)23-19(25)18-13-15-12-16(28-4)10-11-17(15)24(18)20(26)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,23,25,27)
InChIKeyZKACFMVDEMZNBG-UHFFFAOYSA-N
XLogP4.00
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)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-(4-methoxybenzoyl)carbamate
CID 14221825
tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
CID 24807321
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
[acetyloxy(phenyl)methyl] acetate;(5-methoxy-2-methylindol-1-yl)-phenylmethanone
CID 70620919
3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoic acid
CID 54365861
N-(6-methoxy-1-methyl-2-oxoquinolin-3-yl)benzamide
CID 101228890
(2S)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 167311443
tert-butyl N-(1-phenylethenyl)carbamate
CID 24881759
methyl (Z)-3-(4-methoxy-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 135255129
(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
CID 134495390
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate?
The IUPAC name of tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate (CID 166446646) is tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate is COc1ccc2c(c1)cc(C(=O)NC(=O)OC(C)(C)C)n2C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate?
The InChIKey is ZKACFMVDEMZNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-22(2,3)29-21(27)23-19(25)18-13-15-12-16(28-4)10-11-17(15)24(18)20(26)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,23,25,27).
What are the key properties of tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate?
tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate has a molecular weight of 394.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate is sourced from PubChem (CID 166446646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).