9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate

C27H33NO4 — CID 157383915

IUPAC9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
SMILESCC(C)(C)OC(=O)NC1CCC(CC(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H33NO4/c1-27(2,3)32-26(30)28-19-14-12-18(13-15-19)16-25(29)31-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-11,18-19,24H,12-17H2,1-3H3,(H,28,30)
InChIKeyBLEXVPGALXTESU-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.82
Rot. Bonds5

About 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate

9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate (PubChem CID 157383915) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
PubChem CID157383915
Molecular FormulaC27H33NO4
Molecular Weight435.56 g/mol
Exact Mass435.24
IUPAC Name9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
SMILESCC(C)(C)OC(=O)NC1CCC(CC(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H33NO4/c1-27(2,3)32-26(30)28-19-14-12-18(13-15-19)16-25(29)31-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-11,18-19,24H,12-17H2,1-3H3,(H,28,30)
InChIKeyBLEXVPGALXTESU-UHFFFAOYSA-N
XLogP5.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate with MolForge

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Related Compounds

tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxypropanoate
CID 138478651
9H-fluoren-9-ylmethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 124585179
9H-fluoren-9-ylmethyl (5R)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]diazinane-1-carboxylate
CID 163203435
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 165469394
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 7018222
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
CID 176610870
9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
CID 86643648
9H-fluoren-9-ylmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 77431489

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate (CID 157383915) is 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate is CC(C)(C)OC(=O)NC1CCC(CC(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate?
The InChIKey is BLEXVPGALXTESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c1-27(2,3)32-26(30)28-19-14-12-18(13-15-19)16-25(29)31-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-11,18-19,24H,12-17H2,1-3H3,(H,28,30).
What are the key properties of 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate?
9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate has a molecular weight of 435.56 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate is sourced from PubChem (CID 157383915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).