9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate

C18H19NO3 — CID 86810454

IUPAC9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
SMILESCCCN(O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO3/c1-2-11-19(21)18(20)22-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17,21H,2,11-12H2,1H3
InChIKeyVAAHBPMVRXMSHZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.04
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate

9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate (PubChem CID 86810454) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
PubChem CID86810454
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
SMILESCCCN(O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO3/c1-2-11-19(21)18(20)22-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17,21H,2,11-12H2,1H3
InChIKeyVAAHBPMVRXMSHZ-UHFFFAOYSA-N
XLogP4.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
9H-fluoren-9-ylmethyl N-[(2S)-1-chloro-1-oxopentan-2-yl]-N-methylcarbamate
CID 176832325
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
9H-fluoren-9-ylmethyl N-phenyl-N-trimethylsilylcarbamate
CID 54486413
ethyl 2-[9H-fluoren-9-ylmethoxycarbonyl(hydroxy)amino]-2-methyl-3-oxobutanoate
CID 102337465

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate (CID 86810454) is 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate is CCCN(O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate?
The InChIKey is VAAHBPMVRXMSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-11-19(21)18(20)22-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17,21H,2,11-12H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate?
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate has a molecular weight of 297.35 g/mol, XLogP of 4.04, 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-hydroxy-N-propylcarbamate is sourced from PubChem (CID 86810454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).