9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate

C26H26N2O3 — CID 14440771

IUPAC9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C26H26N2O3/c1-17(2)24(25(29)27-18-10-4-3-5-11-18)28-26(30)31-16-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,17,23-24H,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHMLAMMJGZQSCCR-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.19
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate

9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate (PubChem CID 14440771) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate
PubChem CID14440771
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C26H26N2O3/c1-17(2)24(25(29)27-18-10-4-3-5-11-18)28-26(30)31-16-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,17,23-24H,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHMLAMMJGZQSCCR-UHFFFAOYSA-N
XLogP5.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoyl]amino]benzoic acid
CID 164586449
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
9H-fluoren-9-ylmethyl N-[1-[[2-[4-(aminooxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138527329
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]oxypropanoic acid
CID 23387354
4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]benzoic acid
CID 67117093
4-[[2-[[(2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]propanoyl]amino]-3-methylbutanoyl]amino]benzoic acid
CID 59365010
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
2-[[2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid
CID 170431804
9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]propan-2-yl]amino]butan-2-yl]carbamate
CID 90247031

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate (CID 14440771) is 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate is CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate?
The InChIKey is HMLAMMJGZQSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17(2)24(25(29)27-18-10-4-3-5-11-18)28-26(30)31-16-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,17,23-24H,16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate?
9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate has a molecular weight of 414.51 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate is sourced from PubChem (CID 14440771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).