9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate

C38H46N6O2 — CID 174185671

IUPAC9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate
SMILESCC(C)c1nnc(CCN(C)C(=O)OC2c3ccccc3-c3ccccc32)n1C1CC2CCC(C1)N2CCC(N)c1ccccc1
InChIInChI=1S/C38H46N6O2/c1-25(2)37-41-40-35(20-21-42(3)38(45)46-36-32-15-9-7-13-30(32)31-14-8-10-16-33(31)36)44(37)29-23-27-17-18-28(24-29)43(27)22-19-34(39)26-11-5-4-6-12-26/h4-16,25,27-29,34,36H,17-24,39H2,1-3H3
InChIKeyKUDQTFSEQNVPGJ-UHFFFAOYSA-N
MW618.83 g/mol
LogP7.04
Rot. Bonds10

About 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate

9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate (PubChem CID 174185671) has the molecular formula C38H46N6O2 and a molecular weight of 618.83 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate
PubChem CID174185671
Molecular FormulaC38H46N6O2
Molecular Weight618.83 g/mol
Exact Mass618.37
IUPAC Name9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate
SMILESCC(C)c1nnc(CCN(C)C(=O)OC2c3ccccc3-c3ccccc32)n1C1CC2CCC(C1)N2CCC(N)c1ccccc1
InChIInChI=1S/C38H46N6O2/c1-25(2)37-41-40-35(20-21-42(3)38(45)46-36-32-15-9-7-13-30(32)31-14-8-10-16-33(31)36)44(37)29-23-27-17-18-28(24-29)43(27)22-19-34(39)26-11-5-4-6-12-26/h4-16,25,27-29,34,36H,17-24,39H2,1-3H3
InChIKeyKUDQTFSEQNVPGJ-UHFFFAOYSA-N
XLogP7.04
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.83
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate (CID 174185671) is 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate is CC(C)c1nnc(CCN(C)C(=O)OC2c3ccccc3-c3ccccc32)n1C1CC2CCC(C1)N2CCC(N)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate?
The InChIKey is KUDQTFSEQNVPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N6O2/c1-25(2)37-41-40-35(20-21-42(3)38(45)46-36-32-15-9-7-13-30(32)31-14-8-10-16-33(31)36)44(37)29-23-27-17-18-28(24-29)43(27)22-19-34(39)26-11-5-4-6-12-26/h4-16,25,27-29,34,36H,17-24,39H2,1-3H3.
What are the key properties of 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate?
9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate has a molecular weight of 618.83 g/mol, XLogP of 7.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[2-[4-[8-(3-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 174185671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).