[2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate

C33H43NO8 — CID 158588769

IUPAC[2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCC1c2cc(C(=O)CCCOCCCC=O)ccc2-c2ccc(C(=O)CCCOCCCOC)cc21
InChIInChI=1S/C33H43NO8/c1-3-34-33(38)42-23-30-28-21-24(31(36)9-6-18-40-17-5-4-15-35)11-13-26(28)27-14-12-25(22-29(27)30)32(37)10-7-19-41-20-8-16-39-2/h11-15,21-22,30H,3-10,16-20,23H2,1-2H3,(H,34,38)
InChIKeyHUEBBBGVFULKFG-UHFFFAOYSA-N
MW581.71 g/mol
LogP5.52
Rot. Bonds21

About [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate

[2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate (PubChem CID 158588769) has the molecular formula C33H43NO8 and a molecular weight of 581.71 g/mol. Its IUPAC name is [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate
PubChem CID158588769
Molecular FormulaC33H43NO8
Molecular Weight581.71 g/mol
Exact Mass581.30
IUPAC Name[2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCC1c2cc(C(=O)CCCOCCCC=O)ccc2-c2ccc(C(=O)CCCOCCCOC)cc21
InChIInChI=1S/C33H43NO8/c1-3-34-33(38)42-23-30-28-21-24(31(36)9-6-18-40-17-5-4-15-35)11-13-26(28)27-14-12-25(22-29(27)30)32(37)10-7-19-41-20-8-16-39-2/h11-15,21-22,30H,3-10,16-20,23H2,1-2H3,(H,34,38)
InChIKeyHUEBBBGVFULKFG-UHFFFAOYSA-N
XLogP5.52
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.71
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[4-(4-hydroxybutoxy)butanoyl]-7-[4-(3-methoxypropoxy)butanoyl]-9H-fluoren-9-yl]propyl N-ethylcarbamate
CID 158788548
[2-[4-(4-hydroxybutoxy)butanoyl]-7-[4-(3-methoxypropoxy)butanoyl]-9H-fluoren-9-yl]methyl acetate
CID 158924255
[4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate
CID 167618736
[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[4-(4-hydroxybutoxy)butanoyl]-9H-fluoren-9-yl]methyl acetate
CID 159228809
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[4-(4-hydroxybutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-deuteriocarbamate
CID 158611481
[2-formyl-7-(2-hydroxyethylcarbamoyl)-9H-fluoren-9-yl]methyl N-butylcarbamate
CID 135228096
[2-[4-(3-methoxypropoxy)butanoyl]-7-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate
CID 158502649
[2-[[5-oxo-5-(2-propoxyethylamino)pentanoyl]amino]-7-(2-propoxyethylcarbamoyl)-9H-fluoren-9-yl]methyl carbamate
CID 122691690
[2-[4-(2-azidoethoxy)butanoyl]-7-(4-propoxybutanoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 167617428
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178
2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 58331196

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate?
The IUPAC name of [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate (CID 158588769) is [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate.
What is the SMILES notation for [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate?
The canonical SMILES for [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate is CCNC(=O)OCC1c2cc(C(=O)CCCOCCCC=O)ccc2-c2ccc(C(=O)CCCOCCCOC)cc21.
What is the InChIKey of [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate?
The InChIKey is HUEBBBGVFULKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43NO8/c1-3-34-33(38)42-23-30-28-21-24(31(36)9-6-18-40-17-5-4-15-35)11-13-26(28)27-14-12-25(22-29(27)30)32(37)10-7-19-41-20-8-16-39-2/h11-15,21-22,30H,3-10,16-20,23H2,1-2H3,(H,34,38).
What are the key properties of [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate?
[2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate has a molecular weight of 581.71 g/mol, XLogP of 5.52, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate is sourced from PubChem (CID 158588769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).