but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide

C23H26N2O5 — CID 70441558

IUPACbut-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide
SMILESCNC(C)CCC1(C(N)=O)c2ccccc2-c2ccccc21.O=C(O)C=CC(=O)O
InChIInChI=1S/C19H22N2O.C4H4O4/c1-13(21-2)11-12-19(18(20)22)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19;5-3(6)1-2-4(7)8/h3-10,13,21H,11-12H2,1-2H3,(H2,20,22);1-2H,(H,5,6)(H,7,8)
InChIKeyCYPCCPFBNMUNNY-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.54
Rot. Bonds7

About but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide

but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide (PubChem CID 70441558) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide.

Molecular Properties

Compound Namebut-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide
PubChem CID70441558
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Namebut-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide
SMILESCNC(C)CCC1(C(N)=O)c2ccccc2-c2ccccc21.O=C(O)C=CC(=O)O
InChIInChI=1S/C19H22N2O.C4H4O4/c1-13(21-2)11-12-19(18(20)22)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19;5-3(6)1-2-4(7)8/h3-10,13,21H,11-12H2,1-2H3,(H2,20,22);1-2H,(H,5,6)(H,7,8)
InChIKeyCYPCCPFBNMUNNY-UHFFFAOYSA-N
XLogP2.54
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide?
The IUPAC name of but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide (CID 70441558) is but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide.
What is the SMILES notation for but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide?
The canonical SMILES for but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide is CNC(C)CCC1(C(N)=O)c2ccccc2-c2ccccc21.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide?
The InChIKey is CYPCCPFBNMUNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.C4H4O4/c1-13(21-2)11-12-19(18(20)22)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19;5-3(6)1-2-4(7)8/h3-10,13,21H,11-12H2,1-2H3,(H2,20,22);1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide?
but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide is sourced from PubChem (CID 70441558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).