N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide

C26H28N2O4 — CID 4869458

IUPACN-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1cc2oc(=O)c(CC(=O)NCCCN(C)C)c(C)c2c2occ(-c3ccccc3)c12
InChIInChI=1S/C26H28N2O4/c1-16-13-21-24(25-23(16)20(15-31-25)18-9-6-5-7-10-18)17(2)19(26(30)32-21)14-22(29)27-11-8-12-28(3)4/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3,(H,27,29)
InChIKeyNCDPXMHLETUKJD-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.43
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide (PubChem CID 4869458) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide
PubChem CID4869458
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1cc2oc(=O)c(CC(=O)NCCCN(C)C)c(C)c2c2occ(-c3ccccc3)c12
InChIInChI=1S/C26H28N2O4/c1-16-13-21-24(25-23(16)20(15-31-25)18-9-6-5-7-10-18)17(2)19(26(30)32-21)14-22(29)27-11-8-12-28(3)4/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3,(H,27,29)
InChIKeyNCDPXMHLETUKJD-UHFFFAOYSA-N
XLogP4.43
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4869285
N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4869284
N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4868793
N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4967700
N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4967951
N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 40854926
2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(3-hydroxypropyl)acetamide
CID 4870282
2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(3-hydroxypropyl)acetamide
CID 4973000
2-[6-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]hexanoylamino]-3-phenylpropanoic acid
CID 73256145
3-phenyl-2-[[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]propanoic acid
CID 73256609
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
2-[4,7-dimethyl-5-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(3-hydroxypropyl)acetamide
CID 8016200

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide (CID 4869458) is N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide is Cc1cc2oc(=O)c(CC(=O)NCCCN(C)C)c(C)c2c2occ(-c3ccccc3)c12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide?
The InChIKey is NCDPXMHLETUKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-16-13-21-24(25-23(16)20(15-31-25)18-9-6-5-7-10-18)17(2)19(26(30)32-21)14-22(29)27-11-8-12-28(3)4/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3,(H,27,29).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide is sourced from PubChem (CID 4869458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).