9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride

C23H31ClN2O5 — CID 11648094

IUPAC9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
SMILESCl.NCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H30N2O5.ClH/c24-9-11-27-13-15-29-16-14-28-12-10-25-23(26)30-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;/h1-8,22H,9-17,24H2,(H,25,26);1H
InChIKeySEZIMCXPIBEZBJ-UHFFFAOYSA-N
MW450.96 g/mol
LogP2.96
Rot. Bonds13

About 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride (PubChem CID 11648094) has the molecular formula C23H31ClN2O5 and a molecular weight of 450.96 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
PubChem CID11648094
Molecular FormulaC23H31ClN2O5
Molecular Weight450.96 g/mol
Exact Mass450.19
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
SMILESCl.NCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H30N2O5.ClH/c24-9-11-27-13-15-29-16-14-28-12-10-25-23(26)30-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;/h1-8,22H,9-17,24H2,(H,25,26);1H
InChIKeySEZIMCXPIBEZBJ-UHFFFAOYSA-N
XLogP2.96
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.96
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 172909790
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 134528524
9H-fluoren-9-ylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 17039577
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170901439
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 135271738
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 177268739
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]acetic acid
CID 58108393

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride (CID 11648094) is 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride is Cl.NCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride?
The InChIKey is SEZIMCXPIBEZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5.ClH/c24-9-11-27-13-15-29-16-14-28-12-10-25-23(26)30-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;/h1-8,22H,9-17,24H2,(H,25,26);1H.
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride has a molecular weight of 450.96 g/mol, XLogP of 2.96, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride is sourced from PubChem (CID 11648094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).