9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate

C26H24N2O3 — CID 2477112

IUPAC9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)N1CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O3/c29-25(28-14-13-18-7-1-2-8-19(18)16-28)15-27-26(30)31-17-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,24H,13-17H2,(H,27,30)
InChIKeyCIZZTWGTXIRTCG-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.11
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate (PubChem CID 2477112) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate
PubChem CID2477112
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)N1CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O3/c29-25(28-14-13-18-7-1-2-8-19(18)16-28)15-27-26(30)31-17-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,24H,13-17H2,(H,27,30)
InChIKeyCIZZTWGTXIRTCG-UHFFFAOYSA-N
XLogP4.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 21303828
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-oxo-4-piperidin-1-ylbutanoic acid
CID 155248442
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-iminopropanoic acid
CID 163894219
1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid
CID 165494853
2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8005837
2-[[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 172594576
9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143575
3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 154577623
benzyl N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-2-oxoethyl]carbamate
CID 121153569

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate (CID 2477112) is 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate is O=C(NCC(=O)N1CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate?
The InChIKey is CIZZTWGTXIRTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-25(28-14-13-18-7-1-2-8-19(18)16-28)15-27-26(30)31-17-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,24H,13-17H2,(H,27,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate has a molecular weight of 412.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 2477112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).