2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C21H18N4O4 — CID 55619201

IUPAC2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C21H18N4O4/c26-20(12-28-18-7-5-15-6-8-21(27)29-19(15)9-18)23-10-16-3-1-2-4-17(16)11-25-14-22-13-24-25/h1-9,13-14H,10-12H2,(H,23,26)
InChIKeySDYWAGKZBVNQHD-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.13
Rot. Bonds7

About 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55619201) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55619201
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C21H18N4O4/c26-20(12-28-18-7-5-15-6-8-21(27)29-19(15)9-18)23-10-16-3-1-2-4-17(16)11-25-14-22-13-24-25/h1-9,13-14H,10-12H2,(H,23,26)
InChIKeySDYWAGKZBVNQHD-UHFFFAOYSA-N
XLogP2.13
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55852862
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 26117124
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51221936
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
N-[3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 55954154
2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55867604
2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55769192
N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
CID 46401405
4-(4-tert-butylphenoxy)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 55619311

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55619201) is 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccc1Cn1cncn1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is SDYWAGKZBVNQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-20(12-28-18-7-5-15-6-8-21(27)29-19(15)9-18)23-10-16-3-1-2-4-17(16)11-25-14-22-13-24-25/h1-9,13-14H,10-12H2,(H,23,26).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 390.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55619201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).