methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate

C25H20N2O5 — CID 55781819

IUPACmethyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C25H20N2O5/c1-32-23(29)14-26-22(28)12-15-6-9-17(10-7-15)27-25(31)16-8-11-19-18-4-2-3-5-20(18)24(30)21(19)13-16/h2-11,13H,12,14H2,1H3,(H,26,28)(H,27,31)
InChIKeyZYCBXHFNCOHSTM-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.98
Rot. Bonds6

About methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate (PubChem CID 55781819) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate
PubChem CID55781819
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Namemethyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C25H20N2O5/c1-32-23(29)14-26-22(28)12-15-6-9-17(10-7-15)27-25(31)16-8-11-19-18-4-2-3-5-20(18)24(30)21(19)13-16/h2-11,13H,12,14H2,1H3,(H,26,28)(H,27,31)
InChIKeyZYCBXHFNCOHSTM-UHFFFAOYSA-N
XLogP2.98
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate with MolForge

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Related Compounds

4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
N-(4-chlorophenyl)-9-oxofluorene-2-carboxamide
CID 42064363
methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate
CID 55396943
N-(3-methylphenyl)-9-oxofluorene-2-carboxamide
CID 42064187
methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55964481
N-[4-(2-morpholin-4-ylethyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55905281
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
CID 42060741
methyl 2-[[2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119282834
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
9-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]fluorene-2-carboxamide
CID 24618194

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate (CID 55781819) is methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1.
What is the InChIKey of methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The InChIKey is ZYCBXHFNCOHSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-32-23(29)14-26-22(28)12-15-6-9-17(10-7-15)27-25(31)16-8-11-19-18-4-2-3-5-20(18)24(30)21(19)13-16/h2-11,13H,12,14H2,1H3,(H,26,28)(H,27,31).
What are the key properties of methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate has a molecular weight of 428.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55781819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).