N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide

C18H15NO4 — CID 167499224

IUPACN-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide
SMILESCOc1ccccc1-c1cc(=O)oc2cc(NC(C)=O)ccc12
InChIInChI=1S/C18H15NO4/c1-11(20)19-12-7-8-14-15(10-18(21)23-17(14)9-12)13-5-3-4-6-16(13)22-2/h3-10H,1-2H3,(H,19,20)
InChIKeyXOMWBHQLHMEKKG-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.43
Rot. Bonds3

About N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide

N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide (PubChem CID 167499224) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide
PubChem CID167499224
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide
SMILESCOc1ccccc1-c1cc(=O)oc2cc(NC(C)=O)ccc12
InChIInChI=1S/C18H15NO4/c1-11(20)19-12-7-8-14-15(10-18(21)23-17(14)9-12)13-5-3-4-6-16(13)22-2/h3-10H,1-2H3,(H,19,20)
InChIKeyXOMWBHQLHMEKKG-UHFFFAOYSA-N
XLogP3.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
CID 98476084
4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
CID 135259598
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
CID 135265439
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354
N-[4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-2-oxochromen-7-yl]acetamide
CID 18191566
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methoxyphenyl)acetate
CID 46795057
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide (CID 167499224) is N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide is COc1ccccc1-c1cc(=O)oc2cc(NC(C)=O)ccc12.
What is the InChIKey of N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide?
The InChIKey is XOMWBHQLHMEKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11(20)19-12-7-8-14-15(10-18(21)23-17(14)9-12)13-5-3-4-6-16(13)22-2/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide?
N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide has a molecular weight of 309.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide is sourced from PubChem (CID 167499224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).