ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate

C23H25NO4 — CID 60521776

IUPACethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate
SMILESCCOC(=O)CCCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C23H25NO4/c1-2-28-21(25)11-5-3-4-8-14-24-23(27)16-12-13-18-17-9-6-7-10-19(17)22(26)20(18)15-16/h6-7,9-10,12-13,15H,2-5,8,11,14H2,1H3,(H,24,27)
InChIKeyXCFLCKVEOXHRAX-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.14
Rot. Bonds9

About ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate

ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate (PubChem CID 60521776) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate
PubChem CID60521776
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Nameethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate
SMILESCCOC(=O)CCCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C23H25NO4/c1-2-28-21(25)11-5-3-4-8-14-24-23(27)16-12-13-18-17-9-6-7-10-19(17)22(26)20(18)15-16/h6-7,9-10,12-13,15H,2-5,8,11,14H2,1H3,(H,24,27)
InChIKeyXCFLCKVEOXHRAX-UHFFFAOYSA-N
XLogP4.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(9,10-dioxoanthracene-2-carbonyl)amino]butanoate
CID 159141473
N-[9-(4-aminobutylamino)nonyl]-9,10-dioxoanthracene-2-carboxamide
CID 148523711
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
CID 23657410
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647
N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide
CID 102392578
methyl 6-[(3-methyl-4-phenylbenzoyl)amino]hexanoate
CID 66690331
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
(4S)-5-(hexylamino)-5-oxo-4-[(9-oxofluorene-2-carbonyl)amino]pentanoic acid
CID 68703753
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
9-oxo-N-(3-piperidin-1-ylpropyl)fluorene-2-carboxamide
CID 25467153

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate?
The IUPAC name of ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate (CID 60521776) is ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate.
What is the SMILES notation for ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate?
The canonical SMILES for ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate is CCOC(=O)CCCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate?
The InChIKey is XCFLCKVEOXHRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-2-28-21(25)11-5-3-4-8-14-24-23(27)16-12-13-18-17-9-6-7-10-19(17)22(26)20(18)15-16/h6-7,9-10,12-13,15H,2-5,8,11,14H2,1H3,(H,24,27).
What are the key properties of ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate?
ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate has a molecular weight of 379.46 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate is sourced from PubChem (CID 60521776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).