tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate

C23H27NO3 — CID 67132740

IUPACtert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2ccccc2C(Cc2ccccc2)C1=O
InChIInChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-20-14-13-17-11-7-8-12-18(17)19(21(20)25)15-16-9-5-4-6-10-16/h4-12,19-20H,13-15H2,1-3H3,(H,24,26)
InChIKeyXVQBXFRBJMTCLS-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.42
Rot. Bonds3

About tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate

tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate (PubChem CID 67132740) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
PubChem CID67132740
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nametert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2ccccc2C(Cc2ccccc2)C1=O
InChIInChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-20-14-13-17-11-7-8-12-18(17)19(21(20)25)15-16-9-5-4-6-10-16/h4-12,19-20H,13-15H2,1-3H3,(H,24,26)
InChIKeyXVQBXFRBJMTCLS-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate with MolForge

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Related Compounds

tert-butyl N-(5-benzylsulfanyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132723
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[(3R)-6-benzyl-2-oxoazepan-3-yl]carbamate
CID 23657247
tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 113262066
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 125041541
tert-butyl N-(1-bromo-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132756
tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
CID 103905914
tert-butyl N-[6-[(2-oxo-3H-benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 166828720
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 125470418

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate?
The IUPAC name of tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate (CID 67132740) is tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2ccccc2C(Cc2ccccc2)C1=O.
What is the InChIKey of tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate?
The InChIKey is XVQBXFRBJMTCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-20-14-13-17-11-7-8-12-18(17)19(21(20)25)15-16-9-5-4-6-10-16/h4-12,19-20H,13-15H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate?
tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate has a molecular weight of 365.47 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate is sourced from PubChem (CID 67132740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).