N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide

C21H21NO5 — CID 4838654

IUPACN-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCC(O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C21H21NO5/c1-13-16-9-8-15(26-2)10-19(16)27-21(25)17(13)11-20(24)22-12-18(23)14-6-4-3-5-7-14/h3-10,18,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyBOMXJUNRIKCRCV-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.50
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 4838654) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID4838654
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCC(O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C21H21NO5/c1-13-16-9-8-15(26-2)10-19(16)27-21(25)17(13)11-20(24)22-12-18(23)14-6-4-3-5-7-14/h3-10,18,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyBOMXJUNRIKCRCV-UHFFFAOYSA-N
XLogP2.50
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-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

(2R)-2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 907922
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 39040767
N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236159
N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 7096783
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4975363
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 46554584
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid
CID 4303543
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
(2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid
CID 907925

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 4838654) is N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide is COc1ccc2c(C)c(CC(=O)NCC(O)c3ccccc3)c(=O)oc2c1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is BOMXJUNRIKCRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-13-16-9-8-15(26-2)10-19(16)27-21(25)17(13)11-20(24)22-12-18(23)14-6-4-3-5-7-14/h3-10,18,23H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 367.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 4838654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).