N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane

C25H36N2O5 — CID 156719233

IUPACN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane
SMILESCC.NCCOCCOCCOCCNC(=O)c1ccc2c(c1)C(CO)c1ccccc1-2
InChIInChI=1S/C23H30N2O5.C2H6/c24-7-9-28-11-13-30-14-12-29-10-8-25-23(27)17-5-6-20-18-3-1-2-4-19(18)22(16-26)21(20)15-17;1-2/h1-6,15,22,26H,7-14,16,24H2,(H,25,27);1-2H3
InChIKeyNTTCCIAZEZVGGV-UHFFFAOYSA-N
MW444.57 g/mol
LogP2.56
Rot. Bonds13

About N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane (PubChem CID 156719233) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane
PubChem CID156719233
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane
SMILESCC.NCCOCCOCCOCCNC(=O)c1ccc2c(c1)C(CO)c1ccccc1-2
InChIInChI=1S/C23H30N2O5.C2H6/c24-7-9-28-11-13-30-14-12-29-10-8-25-23(27)17-5-6-20-18-3-1-2-4-19(18)22(16-26)21(20)15-17;1-2/h1-6,15,22,26H,7-14,16,24H2,(H,25,27);1-2H3
InChIKeyNTTCCIAZEZVGGV-UHFFFAOYSA-N
XLogP2.56
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-(hydroxymethyl)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-9H-fluorene-2-carboxylic acid
CID 67983888
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-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
CID 11648094
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
9H-fluoren-9-ylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 17039577
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-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 172909790
methyl 4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2-diphenylphosphanylbenzoate
CID 59766031
benzotriazol-1-yl [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate
CID 86710459

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane?
The IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane (CID 156719233) is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane?
The canonical SMILES for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane is CC.NCCOCCOCCOCCNC(=O)c1ccc2c(c1)C(CO)c1ccccc1-2.
What is the InChIKey of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane?
The InChIKey is NTTCCIAZEZVGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5.C2H6/c24-7-9-28-11-13-30-14-12-29-10-8-25-23(27)17-5-6-20-18-3-1-2-4-19(18)22(16-26)21(20)15-17;1-2/h1-6,15,22,26H,7-14,16,24H2,(H,25,27);1-2H3.
What are the key properties of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane?
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane has a molecular weight of 444.57 g/mol, XLogP of 2.56, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-9-(hydroxymethyl)-9H-fluorene-2-carboxamide;ethane is sourced from PubChem (CID 156719233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).