tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate

C30H30N2O4 — CID 25190872

IUPACtert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
SMILESCOc1ccccc1C(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1
InChIInChI=1S/C30H30N2O4/c1-30(2,3)36-29(34)32-25-11-7-5-9-20(25)18-26(32)21-14-13-19-16-23(17-22(19)15-21)31-28(33)24-10-6-8-12-27(24)35-4/h5-15,18,23H,16-17H2,1-4H3,(H,31,33)
InChIKeyRBJGBZDZNUUOPX-UHFFFAOYSA-N
MW482.58 g/mol
LogP6.00
Rot. Bonds4

About tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate

tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate (PubChem CID 25190872) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
PubChem CID25190872
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Nametert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
SMILESCOc1ccccc1C(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1
InChIInChI=1S/C30H30N2O4/c1-30(2,3)36-29(34)32-25-11-7-5-9-20(25)18-26(32)21-14-13-19-16-23(17-22(19)15-21)31-28(33)24-10-6-8-12-27(24)35-4/h5-15,18,23H,16-17H2,1-4H3,(H,31,33)
InChIKeyRBJGBZDZNUUOPX-UHFFFAOYSA-N
XLogP6.00
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]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 2-(2-benzamido-2,3-dihydro-1H-inden-5-yl)indole-1-carboxylate
CID 25190870
tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
CID 25190848
tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-5-cyanoindole-1-carboxylate
CID 25190820
tert-butyl 2-(6-bromo-9H-thioxanthen-3-yl)indole-1-carboxylate
CID 159808145
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
tert-butyl 2-[4-(cyanomethyl)phenyl]indole-1-carboxylate
CID 25190804
tert-butyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoate
CID 91117529
tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate
CID 141211122
tert-butyl 6-methyl-2-phenylindole-1-carboxylate
CID 118481717
tert-butyl 2-hydroxyindole-1-carboxylate
CID 59887114
tert-butyl 2-(furan-2-yl)indole-1-carboxylate
CID 71078189

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate (CID 25190872) is tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate is COc1ccccc1C(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1.
What is the InChIKey of tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The InChIKey is RBJGBZDZNUUOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-30(2,3)36-29(34)32-25-11-7-5-9-20(25)18-26(32)21-14-13-19-16-23(17-22(19)15-21)31-28(33)24-10-6-8-12-27(24)35-4/h5-15,18,23H,16-17H2,1-4H3,(H,31,33).
What are the key properties of tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate has a molecular weight of 482.58 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(2-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate is sourced from PubChem (CID 25190872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).