2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide

C21H22N2O4 — CID 172661854

IUPAC2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide
SMILESCc1cc2oc(=O)cc(C)c2cc1NC(=O)Cc1cccc(OCCN)c1
InChIInChI=1S/C21H22N2O4/c1-13-9-21(25)27-19-8-14(2)18(12-17(13)19)23-20(24)11-15-4-3-5-16(10-15)26-7-6-22/h3-5,8-10,12H,6-7,11,22H2,1-2H3,(H,23,24)
InChIKeyXSMVGRLZTYUCDX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.93
Rot. Bonds6

About 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide

2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide (PubChem CID 172661854) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide
PubChem CID172661854
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide
SMILESCc1cc2oc(=O)cc(C)c2cc1NC(=O)Cc1cccc(OCCN)c1
InChIInChI=1S/C21H22N2O4/c1-13-9-21(25)27-19-8-14(2)18(12-17(13)19)23-20(24)11-15-4-3-5-16(10-15)26-7-6-22/h3-5,8-10,12H,6-7,11,22H2,1-2H3,(H,23,24)
InChIKeyXSMVGRLZTYUCDX-UHFFFAOYSA-N
XLogP2.93
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-(4,7-dimethyl-2-oxochromen-6-yl)-5-methylbenzamide;hydrochloride
CID 172897097
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-(4-amino-2,5-dimethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 103144419
1-[3-(2-aminoethoxy)phenyl]-3,3-dimethylbutan-2-one
CID 59320009
3-bromo-N-(4,7-dimethyl-2-oxochromen-6-yl)benzamide
CID 1234118
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 906216
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
CID 2925103
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
CID 3576472
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide (CID 172661854) is 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide is Cc1cc2oc(=O)cc(C)c2cc1NC(=O)Cc1cccc(OCCN)c1.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide?
The InChIKey is XSMVGRLZTYUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-9-21(25)27-19-8-14(2)18(12-17(13)19)23-20(24)11-15-4-3-5-16(10-15)26-7-6-22/h3-5,8-10,12H,6-7,11,22H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide?
2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 172661854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).