9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate

C26H26N2O3 — CID 90337303

IUPAC9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H26N2O3/c1-26(2,3)28-24(29)17-12-14-18(15-13-17)27-25(30)31-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-15,23H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyPDBFPFPPMFUFMO-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.58
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate (PubChem CID 90337303) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
PubChem CID90337303
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H26N2O3/c1-26(2,3)28-24(29)17-12-14-18(15-13-17)27-25(30)31-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-15,23H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyPDBFPFPPMFUFMO-UHFFFAOYSA-N
XLogP5.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-[(2-methylpropan-2-yl)oxycarbamoyl]phenyl]carbamate
CID 141231011
9H-fluoren-9-ylmethyl N-[4-[6-(tert-butylcarbamoyl)-1,3-benzothiazol-2-yl]phenyl]carbamate
CID 90337295
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid
CID 165343448
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]benzoic acid
CID 67117093
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 155823318
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]-diphenylmethyl]sulfanyl (2R)-2-amino-3-sulfanylpropanoate
CID 129052269

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate (CID 90337303) is 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate is CC(C)(C)NC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate?
The InChIKey is PDBFPFPPMFUFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-26(2,3)28-24(29)17-12-14-18(15-13-17)27-25(30)31-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-15,23H,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate has a molecular weight of 414.51 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 90337303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).