2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide

C19H21N3O4 — CID 4905395

IUPAC2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCCCn2ccnc2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H21N3O4/c1-13-8-15(19-14(2)10-18(24)26-16(19)9-13)25-11-17(23)21-4-3-6-22-7-5-20-12-22/h5,7-10,12H,3-4,6,11H2,1-2H3,(H,21,23)
InChIKeyQCPWORYWKZWDAY-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.19
Rot. Bonds7

About 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide

2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4905395) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4905395
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCCCn2ccnc2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H21N3O4/c1-13-8-15(19-14(2)10-18(24)26-16(19)9-13)25-11-17(23)21-4-3-6-22-7-5-20-12-22/h5,7-10,12H,3-4,6,11H2,1-2H3,(H,21,23)
InChIKeyQCPWORYWKZWDAY-UHFFFAOYSA-N
XLogP2.19
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-imidazol-1-ylpropyl)-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]propanamide
CID 40512592
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4973651
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4901462
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
CID 4909677
4-(imidazol-1-ylmethyl)-5,7-dimethylchromen-2-one
CID 4966037
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4911782
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4906700
2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 55924710
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4870875

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide (CID 4905395) is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide is Cc1cc(OCC(=O)NCCCn2ccnc2)c2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is QCPWORYWKZWDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-8-15(19-14(2)10-18(24)26-16(19)9-13)25-11-17(23)21-4-3-6-22-7-5-20-12-22/h5,7-10,12H,3-4,6,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4905395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).