tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate

C32H37NO5 — CID 162785745

IUPACtert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate
SMILESCC(C)Oc1ccc(CCCC(=O)OC(C)(C)C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C32H37NO5/c1-21(2)37-23-18-17-22(11-10-16-30(34)38-32(3,4)5)29(19-23)33-31(35)36-20-28-26-14-8-6-12-24(26)25-13-7-9-15-27(25)28/h6-9,12-15,17-19,21,28H,10-11,16,20H2,1-5H3,(H,33,35)
InChIKeyKDMFKYLUQLUDAC-UHFFFAOYSA-N
MW515.65 g/mol
LogP7.50
Rot. Bonds9

About tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate

tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate (PubChem CID 162785745) has the molecular formula C32H37NO5 and a molecular weight of 515.65 g/mol. Its IUPAC name is tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate.

Molecular Properties

Compound Nametert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate
PubChem CID162785745
Molecular FormulaC32H37NO5
Molecular Weight515.65 g/mol
Exact Mass515.27
IUPAC Nametert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate
SMILESCC(C)Oc1ccc(CCCC(=O)OC(C)(C)C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C32H37NO5/c1-21(2)37-23-18-17-22(11-10-16-30(34)38-32(3,4)5)29(19-23)33-31(35)36-20-28-26-14-8-6-12-24(26)25-13-7-9-15-27(25)28/h6-9,12-15,17-19,21,28H,10-11,16,20H2,1-5H3,(H,33,35)
InChIKeyKDMFKYLUQLUDAC-UHFFFAOYSA-N
XLogP7.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate with MolForge

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Related Compounds

tert-butyl 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-ylphenyl]propanoate
CID 162785757
tert-butyl 4-[2-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]-4-methylphenyl]butanoate
CID 162785731
tert-butyl 4-[5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]butanoate
CID 162785753
tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-fluoro-3-pyridinyl]butanoate
CID 162785697
4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-fluorophenyl]butanoic acid
CID 154780161
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 25132218
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;hydrate
CID 71317335
tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 85251388
tert-butyl 4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-5-oxo-5-(propan-2-ylamino)pentanoate
CID 138631470
5-O-tert-butyl 1-O-ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
CID 126640932
(3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 59669590
tert-butyl (3R,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylheptanoate
CID 75365719

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate?
The IUPAC name of tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate (CID 162785745) is tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate.
What is the SMILES notation for tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate?
The canonical SMILES for tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate is CC(C)Oc1ccc(CCCC(=O)OC(C)(C)C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate?
The InChIKey is KDMFKYLUQLUDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO5/c1-21(2)37-23-18-17-22(11-10-16-30(34)38-32(3,4)5)29(19-23)33-31(35)36-20-28-26-14-8-6-12-24(26)25-13-7-9-15-27(25)28/h6-9,12-15,17-19,21,28H,10-11,16,20H2,1-5H3,(H,33,35).
What are the key properties of tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate?
tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate has a molecular weight of 515.65 g/mol, XLogP of 7.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propan-2-yloxyphenyl]butanoate is sourced from PubChem (CID 162785745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).