9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate

C20H23NO3 — CID 102466963

IUPAC9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
SMILESCOC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)19(23-3)21-20(22)24-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,21,22)
InChIKeyASCZMVBWZSYFQF-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.15
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate

9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate (PubChem CID 102466963) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
PubChem CID102466963
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
SMILESCOC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)19(23-3)21-20(22)24-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,21,22)
InChIKeyASCZMVBWZSYFQF-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
CID 101120722
CID 101120722
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxybutanoate
CID 135024259
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066
9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 135015195
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate (CID 102466963) is 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate is COC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate?
The InChIKey is ASCZMVBWZSYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(2)19(23-3)21-20(22)24-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,21,22).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate?
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.15, 5 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-(1-methoxy-2-methylpropyl)carbamate is sourced from PubChem (CID 102466963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).