9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate

C25H21NO3 — CID 134874362

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate
SMILESO=C=C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21NO3/c27-15-14-19(16-18-8-2-1-3-9-18)26-25(28)29-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-14,19,24H,16-17H2,(H,26,28)/t19-/m1/s1
InChIKeyFKBPKXXOGSRPJI-LJQANCHMSA-N
MW383.45 g/mol
LogP4.52
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate (PubChem CID 134874362) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate
PubChem CID134874362
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate
SMILESO=C=C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21NO3/c27-15-14-19(16-18-8-2-1-3-9-18)26-25(28)29-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-14,19,24H,16-17H2,(H,26,28)/t19-/m1/s1
InChIKeyFKBPKXXOGSRPJI-LJQANCHMSA-N
XLogP4.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate 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-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 163290440
9H-fluoren-9-ylmethyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
CID 2451967
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
(2S)-2-deuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
CID 24773494
amino (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 174627656
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 132525640
9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 58868035
[(E)-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]oxyhex-3-enyl] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 102292712
9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate
CID 89011784
9H-fluoren-9-ylmethyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10938917
9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate
CID 20639917

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate (CID 134874362) is 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate is O=C=C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate?
The InChIKey is FKBPKXXOGSRPJI-LJQANCHMSA-N. The full InChI is InChI=1S/C25H21NO3/c27-15-14-19(16-18-8-2-1-3-9-18)26-25(28)29-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-14,19,24H,16-17H2,(H,26,28)/t19-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 4.52, 6 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-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate is sourced from PubChem (CID 134874362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).