benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate

C29H24N2O4 — CID 141445074

IUPACbenzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
SMILESO=C(Nc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1)OCc1ccccc1
InChIInChI=1S/C29H24N2O4/c32-28(34-18-20-9-2-1-3-10-20)30-21-11-8-12-22(17-21)31-29(33)35-19-27-25-15-6-4-13-23(25)24-14-5-7-16-26(24)27/h1-17,27H,18-19H2,(H,30,32)(H,31,33)
InChIKeyAWANFKYRDSGRGN-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.80
Rot. Bonds6

About benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate

benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate (PubChem CID 141445074) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
PubChem CID141445074
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC Namebenzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
SMILESO=C(Nc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1)OCc1ccccc1
InChIInChI=1S/C29H24N2O4/c32-28(34-18-20-9-2-1-3-10-20)30-21-11-8-12-22(17-21)31-29(33)35-19-27-25-15-6-4-13-23(25)24-14-5-7-16-26(24)27/h1-17,27H,18-19H2,(H,30,32)(H,31,33)
InChIKeyAWANFKYRDSGRGN-UHFFFAOYSA-N
XLogP6.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetyl]amino]-3-methylbutanoic acid
CID 165446804
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
CID 130985765
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(phenylmethoxycarbonylamino)butanoic acid
CID 3337413
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate
CID 174753311
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
CID 100994235
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66674263
benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66670922

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate?
The IUPAC name of benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate (CID 141445074) is benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate is O=C(Nc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate?
The InChIKey is AWANFKYRDSGRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c32-28(34-18-20-9-2-1-3-10-20)30-21-11-8-12-22(17-21)31-29(33)35-19-27-25-15-6-4-13-23(25)24-14-5-7-16-26(24)27/h1-17,27H,18-19H2,(H,30,32)(H,31,33).
What are the key properties of benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate?
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate has a molecular weight of 464.52 g/mol, XLogP of 6.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate is sourced from PubChem (CID 141445074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).