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

C23H27NO4 — CID 108765452

IUPACN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2
InChIInChI=1S/C23H27NO4/c1-14(2)16-6-9-18(10-7-16)27-15(3)22(26)24-17-8-11-21-19(12-17)20(25)13-23(4,5)28-21/h6-12,14-15H,13H2,1-5H3,(H,24,26)
InChIKeyIBOJLRXHTHICMP-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.96
Rot. Bonds5

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

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108765452) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108765452
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2
InChIInChI=1S/C23H27NO4/c1-14(2)16-6-9-18(10-7-16)27-15(3)22(26)24-17-8-11-21-19(12-17)20(25)13-23(4,5)28-21/h6-12,14-15H,13H2,1-5H3,(H,24,26)
InChIKeyIBOJLRXHTHICMP-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide
CID 108743060
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188
[3-[[4-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927645
(E)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-3-(4-methylphenyl)prop-2-enamide
CID 108765411
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108765937

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide (CID 108765452) is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2.
What is the InChIKey of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is IBOJLRXHTHICMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-14(2)16-6-9-18(10-7-16)27-15(3)22(26)24-17-8-11-21-19(12-17)20(25)13-23(4,5)28-21/h6-12,14-15H,13H2,1-5H3,(H,24,26).
What are the key properties of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide?
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 381.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108765452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).