N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide

C25H27N3O4 — CID 55354601

IUPACN-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C25H27N3O4/c1-3-28(15-24(30)27-21-9-7-20(8-10-21)26-16(2)29)14-19-13-25(31)32-23-12-18-6-4-5-17(18)11-22(19)23/h7-13H,3-6,14-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyOOBCRLZDEAZCNI-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.70
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide

N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide (PubChem CID 55354601) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide
PubChem CID55354601
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C25H27N3O4/c1-3-28(15-24(30)27-21-9-7-20(8-10-21)26-16(2)29)14-19-13-25(31)32-23-12-18-6-4-5-17(18)11-22(19)23/h7-13H,3-6,14-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyOOBCRLZDEAZCNI-UHFFFAOYSA-N
XLogP3.70
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201171
4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 111334207
N-methyl-2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide
CID 78825945
2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2507646
4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 18191568
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
4-[[2-hydroxyethyl(methyl)amino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 7205086
2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9025576
N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433163
2-[(7-acetamido-2-oxochromen-4-yl)methyl-butylamino]acetamide
CID 87016917
4-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 111436402
N-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide (CID 55354601) is N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(=O)oc2cc3c(cc12)CCC3.
What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide?
The InChIKey is OOBCRLZDEAZCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-28(15-24(30)27-21-9-7-20(8-10-21)26-16(2)29)14-19-13-25(31)32-23-12-18-6-4-5-17(18)11-22(19)23/h7-13H,3-6,14-15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 55354601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).