ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate

C32H37NO3 — CID 70612366

IUPACethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate
SMILESCCOC(=O)CCCCCCc1ccc(CCNC(=O)Cc2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C32H37NO3/c1-2-36-32(35)15-6-4-3-5-10-24-16-18-25(19-17-24)20-21-33-31(34)23-27-12-9-14-29-28-13-8-7-11-26(28)22-30(27)29/h7-9,11-14,16-19H,2-6,10,15,20-23H2,1H3,(H,33,34)
InChIKeyDRASMANALVJTDT-UHFFFAOYSA-N
MW483.65 g/mol
LogP6.22
Rot. Bonds13

About ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate

ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate (PubChem CID 70612366) has the molecular formula C32H37NO3 and a molecular weight of 483.65 g/mol. Its IUPAC name is ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate.

Molecular Properties

Compound Nameethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate
PubChem CID70612366
Molecular FormulaC32H37NO3
Molecular Weight483.65 g/mol
Exact Mass483.28
IUPAC Nameethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate
SMILESCCOC(=O)CCCCCCc1ccc(CCNC(=O)Cc2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C32H37NO3/c1-2-36-32(35)15-6-4-3-5-10-24-16-18-25(19-17-24)20-21-33-31(34)23-27-12-9-14-29-28-13-8-7-11-26(28)22-30(27)29/h7-9,11-14,16-19H,2-6,10,15,20-23H2,1H3,(H,33,34)
InChIKeyDRASMANALVJTDT-UHFFFAOYSA-N
XLogP6.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.65
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate with MolForge

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Related Compounds

3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid
CID 70613137
ethyl 4-[2-[[2-(6,11-dihydrobenzo[c][1]benzoxepin-1-yl)acetyl]amino]ethyl]benzoate
CID 70612390
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
ethyl 3-[4-[acetamido(9H-fluoren-1-yl)methyl]phenyl]propanoate
CID 70612637
3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid
CID 70613807
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
2-(9H-fluoren-1-yl)acetamide
CID 22939017
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 17-(2-aminophenyl)heptadecanoate
CID 21163280

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate?
The IUPAC name of ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate (CID 70612366) is ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate.
What is the SMILES notation for ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate?
The canonical SMILES for ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate is CCOC(=O)CCCCCCc1ccc(CCNC(=O)Cc2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate?
The InChIKey is DRASMANALVJTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO3/c1-2-36-32(35)15-6-4-3-5-10-24-16-18-25(19-17-24)20-21-33-31(34)23-27-12-9-14-29-28-13-8-7-11-26(28)22-30(27)29/h7-9,11-14,16-19H,2-6,10,15,20-23H2,1H3,(H,33,34).
What are the key properties of ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate?
ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate has a molecular weight of 483.65 g/mol, XLogP of 6.22, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate is sourced from PubChem (CID 70612366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).