ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate

C18H18N2O4 — CID 134586711

IUPACethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate
SMILESCCOC(=O)N(CC1c2ccccc2-c2ccccc21)OC(N)=O
InChIInChI=1S/C18H18N2O4/c1-2-23-18(22)20(24-17(19)21)11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3,(H2,19,21)
InChIKeySUEAEDIJNAMQEJ-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.27
Rot. Bonds3

About ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate

ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate (PubChem CID 134586711) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate
PubChem CID134586711
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate
SMILESCCOC(=O)N(CC1c2ccccc2-c2ccccc21)OC(N)=O
InChIInChI=1S/C18H18N2O4/c1-2-23-18(22)20(24-17(19)21)11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3,(H2,19,21)
InChIKeySUEAEDIJNAMQEJ-UHFFFAOYSA-N
XLogP3.27
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
CID 141437716
ethyl 2-[9H-fluoren-9-ylmethoxycarbonyl(hydroxy)amino]-2-methyl-3-oxobutanoate
CID 102337465
5-[bis(ethoxycarbonyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 154728911
ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate
CID 157435209
[(2R)-2-amino-3-(9H-fluoren-9-yl)propyl] carbamate
CID 97161909
ethyl (2S)-2-(9H-fluoren-9-yl)-2-(N-methoxycarbonylanilino)acetate
CID 54280060
2-[9H-fluoren-9-yl(methyl)amino]acetamide
CID 166193122

Frequently Asked Questions

What is the IUPAC name of ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate?
The IUPAC name of ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate (CID 134586711) is ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate?
The canonical SMILES for ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate is CCOC(=O)N(CC1c2ccccc2-c2ccccc21)OC(N)=O.
What is the InChIKey of ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate?
The InChIKey is SUEAEDIJNAMQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-23-18(22)20(24-17(19)21)11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3,(H2,19,21).
What are the key properties of ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate?
ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate has a molecular weight of 326.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-carbamoyloxy-N-(9H-fluoren-9-ylmethyl)carbamate is sourced from PubChem (CID 134586711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).