9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate

C36H35N3O4 — CID 19047824

IUPAC9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(Cc1c[nH]c2ccccc12)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C36H35N3O4/c1-36(20-25-21-37-33-18-10-9-13-27(25)33,34(41)38-26(22-40)19-24-11-3-2-4-12-24)39-35(42)43-23-32-30-16-7-5-14-28(30)29-15-6-8-17-31(29)32/h2-18,21,26,32,37,40H,19-20,22-23H2,1H3,(H,38,41)(H,39,42)
InChIKeyLVZUNBJXJFOOMW-UHFFFAOYSA-N
MW573.69 g/mol
LogP5.73
Rot. Bonds10

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

9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 19047824) has the molecular formula C36H35N3O4 and a molecular weight of 573.69 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID19047824
Molecular FormulaC36H35N3O4
Molecular Weight573.69 g/mol
Exact Mass573.26
IUPAC Name9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(Cc1c[nH]c2ccccc12)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C36H35N3O4/c1-36(20-25-21-37-33-18-10-9-13-27(25)33,34(41)38-26(22-40)19-24-11-3-2-4-12-24)39-35(42)43-23-32-30-16-7-5-14-28(30)29-15-6-8-17-31(29)32/h2-18,21,26,32,37,40H,19-20,22-23H2,1H3,(H,38,41)(H,39,42)
InChIKeyLVZUNBJXJFOOMW-UHFFFAOYSA-N
XLogP5.73
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.69
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-methylcyclohexyl] N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 23900136
9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 71024265
(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(1R,2R)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-4-phenylbutanoic acid
CID 10052360
[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropyl] acetate
CID 42630937
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 131873978
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(1H-indol-3-yl)pentanoic acid
CID 2756075
[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-(2-adamantyl)carbamate
CID 54364595
9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid
CID 129277382
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 11248754
ethyl 2-[[(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-phenylbutanoyl]amino]acetate
CID 10371967
4-[[(2R)-2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-3-phenylpropyl]amino]-4-oxobutanoic acid
CID 14802521
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(1H-indol-3-yl)propanoic acid
CID 156757873

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate (CID 19047824) is 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate is CC(Cc1c[nH]c2ccccc12)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is LVZUNBJXJFOOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O4/c1-36(20-25-21-37-33-18-10-9-13-27(25)33,34(41)38-26(22-40)19-24-11-3-2-4-12-24)39-35(42)43-23-32-30-16-7-5-14-28(30)29-15-6-8-17-31(29)32/h2-18,21,26,32,37,40H,19-20,22-23H2,1H3,(H,38,41)(H,39,42).
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 573.69 g/mol, XLogP of 5.73, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 19047824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).