9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate

C34H32N4O3 — CID 153463730

IUPAC9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate
SMILESO=C(Nc1ccccc1NC(=O)c1ccc(CN2CC3(CNC3)C2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H32N4O3/c39-32(24-15-13-23(14-16-24)17-38-21-34(22-38)19-35-20-34)36-30-11-5-6-12-31(30)37-33(40)41-18-29-27-9-3-1-7-25(27)26-8-2-4-10-28(26)29/h1-16,29,35H,17-22H2,(H,36,39)(H,37,40)
InChIKeyMTLBWRRMRDTHJJ-UHFFFAOYSA-N
MW544.66 g/mol
LogP5.71
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate (PubChem CID 153463730) has the molecular formula C34H32N4O3 and a molecular weight of 544.66 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate
PubChem CID153463730
Molecular FormulaC34H32N4O3
Molecular Weight544.66 g/mol
Exact Mass544.25
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate
SMILESO=C(Nc1ccccc1NC(=O)c1ccc(CN2CC3(CNC3)C2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H32N4O3/c39-32(24-15-13-23(14-16-24)17-38-21-34(22-38)19-35-20-34)36-30-11-5-6-12-31(30)37-33(40)41-18-29-27-9-3-1-7-25(27)26-8-2-4-10-28(26)29/h1-16,29,35H,17-22H2,(H,36,39)(H,37,40)
InChIKeyMTLBWRRMRDTHJJ-UHFFFAOYSA-N
XLogP5.71
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate (CID 153463730) is 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate is O=C(Nc1ccccc1NC(=O)c1ccc(CN2CC3(CNC3)C2)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate?
The InChIKey is MTLBWRRMRDTHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O3/c39-32(24-15-13-23(14-16-24)17-38-21-34(22-38)19-35-20-34)36-30-11-5-6-12-31(30)37-33(40)41-18-29-27-9-3-1-7-25(27)26-8-2-4-10-28(26)29/h1-16,29,35H,17-22H2,(H,36,39)(H,37,40).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate has a molecular weight of 544.66 g/mol, XLogP of 5.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 153463730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).