N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide

C21H23NO5 — CID 108743060

IUPACN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1
InChIInChI=1S/C21H23NO5/c1-13(26-16-8-6-15(25-4)7-9-16)20(24)22-14-5-10-19-17(11-14)18(23)12-21(2,3)27-19/h5-11,13H,12H2,1-4H3,(H,22,24)
InChIKeyXIHCTQWBNPXPNN-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.85
Rot. Bonds5

About N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 108743060) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide
PubChem CID108743060
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1
InChIInChI=1S/C21H23NO5/c1-13(26-16-8-6-15(25-4)7-9-16)20(24)22-14-5-10-19-17(11-14)18(23)12-21(2,3)27-19/h5-11,13H,12H2,1-4H3,(H,22,24)
InChIKeyXIHCTQWBNPXPNN-UHFFFAOYSA-N
XLogP3.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108765452
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805242
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide (CID 108743060) is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1.
What is the InChIKey of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is XIHCTQWBNPXPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13(26-16-8-6-15(25-4)7-9-16)20(24)22-14-5-10-19-17(11-14)18(23)12-21(2,3)27-19/h5-11,13H,12H2,1-4H3,(H,22,24).
What are the key properties of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide?
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 369.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 108743060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).