9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate

C37H34N2O4 — CID 42632250

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H34N2O4/c40-23-29(21-25-10-2-1-3-11-25)38-36(41)35(22-26-18-19-27-12-4-5-13-28(27)20-26)39-37(42)43-24-34-32-16-8-6-14-30(32)31-15-7-9-17-33(31)34/h1-20,29,34-35,40H,21-24H2,(H,38,41)(H,39,42)/t29-,35+/m1/s1
InChIKeyMVEQZJVZLIYLIF-UYHPJTEGSA-N
MW570.69 g/mol
LogP6.01
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate (PubChem CID 42632250) has the molecular formula C37H34N2O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
PubChem CID42632250
Molecular FormulaC37H34N2O4
Molecular Weight570.69 g/mol
Exact Mass570.25
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H34N2O4/c40-23-29(21-25-10-2-1-3-11-25)38-36(41)35(22-26-18-19-27-12-4-5-13-28(27)20-26)39-37(42)43-24-34-32-16-8-6-14-30(32)31-15-7-9-17-33(31)34/h1-20,29,34-35,40H,21-24H2,(H,38,41)(H,39,42)/t29-,35+/m1/s1
InChIKeyMVEQZJVZLIYLIF-UYHPJTEGSA-N
XLogP6.01
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate (CID 42632250) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate is O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is MVEQZJVZLIYLIF-UYHPJTEGSA-N. The full InChI is InChI=1S/C37H34N2O4/c40-23-29(21-25-10-2-1-3-11-25)38-36(41)35(22-26-18-19-27-12-4-5-13-28(27)20-26)39-37(42)43-24-34-32-16-8-6-14-30(32)31-15-7-9-17-33(31)34/h1-20,29,34-35,40H,21-24H2,(H,38,41)(H,39,42)/t29-,35+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 570.69 g/mol, XLogP of 6.01, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 42632250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).