9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate

C21H18N2O2 — CID 155637511

IUPAC9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
SMILESNN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C21H18N2O2/c22-23(15-8-2-1-3-9-15)21(24)25-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14,22H2
InChIKeyPBTOUHQKUOIXRY-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.32
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate

9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate (PubChem CID 155637511) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
PubChem CID155637511
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
SMILESNN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C21H18N2O2/c22-23(15-8-2-1-3-9-15)21(24)25-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14,22H2
InChIKeyPBTOUHQKUOIXRY-UHFFFAOYSA-N
XLogP4.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate 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-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
9H-fluoren-9-ylmethyl N-phenyl-N-trimethylsilylcarbamate
CID 54486413
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid
CID 67594296
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid
CID 68802627
4-(dimethylamino)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 151522504
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate (CID 155637511) is 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate is NN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate?
The InChIKey is PBTOUHQKUOIXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c22-23(15-8-2-1-3-9-15)21(24)25-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14,22H2.
What are the key properties of 9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate?
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate has a molecular weight of 330.39 g/mol, XLogP of 4.32, 3 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-amino-N-phenylcarbamate is sourced from PubChem (CID 155637511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).