9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate

C25H25N3O3 — CID 135027299

IUPAC9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate
SMILESCC(NC(=O)NCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25N3O3/c1-17(27-24(29)26-15-18-9-3-2-4-10-18)28-25(30)31-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23H,15-16H2,1H3,(H,28,30)(H2,26,27,29)
InChIKeyDOVWRFNCSHCEIV-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.37
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate (PubChem CID 135027299) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate
PubChem CID135027299
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate
SMILESCC(NC(=O)NCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25N3O3/c1-17(27-24(29)26-15-18-9-3-2-4-10-18)28-25(30)31-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23H,15-16H2,1H3,(H,28,30)(H2,26,27,29)
InChIKeyDOVWRFNCSHCEIV-UHFFFAOYSA-N
XLogP4.37
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.37
H-Bond Donors ≤ 53
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

9H-Fluoren-9-ylmethyl N-((4-aminophenyl)methyl)carbamate
CID 24747814
(9H-fluoren-9-yl)methyl N-(3-aminopropyl)carbamate hydrochloride
CID 16070793
Carbamic acid, N-2-propen-1-yl-, 9H-fluoren-9-ylmethyl ester
CID 75176269
9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate
CID 56642822
(9H-fluoren-9-yl)methyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
CID 14539890
(9H-Fluoren-9-yl)methyl (4-aminobutyl)carbamate--hydrogen bromide (1/1)
CID 16213177
(9H-Fluoren-9-yl)methyl (6-aminohexyl)carbamate--hydrogen bromide (1/1)
CID 16213180
(9H-Fluoren-9-yl)methyl (5-aminopentyl)carbamate--hydrogen bromide (1/1)
CID 16213181
(9H-Fluoren-9-yl)methyl (3-aminopropyl)carbamate--hydrogen bromide (1/1)
CID 16213183
(9H-fluoren-9-yl)methyl N-(4-aminobutyl)carbamate hydrochloride
CID 56777061
9H-fluoren-9-ylmethyl N-[(3-aminocyclobutyl)methyl]carbamate
CID 177799389
(9H-Fluoren-9-yl)methyl (3-aminopropyl)carbamate
CID 2794280

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate (CID 135027299) is 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate is CC(NC(=O)NCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate?
The InChIKey is DOVWRFNCSHCEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(27-24(29)26-15-18-9-3-2-4-10-18)28-25(30)31-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23H,15-16H2,1H3,(H,28,30)(H2,26,27,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate has a molecular weight of 415.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 135027299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).