benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate

C23H19NO4 — CID 164606401

IUPACbenzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
SMILESO=C(NCc1ccccc1)OC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19NO4/c25-22(24-14-16-8-2-1-3-9-16)28-23(26)27-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2,(H,24,25)
InChIKeyRDZXBXZGKGNADO-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.86
Rot. Bonds4

About benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate

benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate (PubChem CID 164606401) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Namebenzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
PubChem CID164606401
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Namebenzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
SMILESO=C(NCc1ccccc1)OC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19NO4/c25-22(24-14-16-8-2-1-3-9-16)28-23(26)27-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2,(H,24,25)
InChIKeyRDZXBXZGKGNADO-UHFFFAOYSA-N
XLogP4.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]propanoic acid
CID 167718170
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
methyl 4-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]benzoate
CID 102121065
9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
CID 11975088
4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid
CID 175993953
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
CID 172639206
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316

Frequently Asked Questions

What is the IUPAC name of benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate (CID 164606401) is benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate is O=C(NCc1ccccc1)OC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is RDZXBXZGKGNADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(24-14-16-8-2-1-3-9-16)28-23(26)27-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2,(H,24,25).
What are the key properties of benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate?
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 373.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 164606401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).