2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide

C23H25NO4 — CID 8563913

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1C)c1ccc(C)cc1
InChIInChI=1S/C23H25NO4/c1-5-19(17-8-6-14(2)7-9-17)24-21(25)13-27-20-11-10-18-15(3)12-22(26)28-23(18)16(20)4/h6-12,19H,5,13H2,1-4H3,(H,24,25)/t19-/m0/s1
InChIKeyVTMQMLKKWBDZQG-IBGZPJMESA-N
MW379.46 g/mol
LogP4.36
Rot. Bonds6

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 8563913) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
PubChem CID8563913
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1C)c1ccc(C)cc1
InChIInChI=1S/C23H25NO4/c1-5-19(17-8-6-14(2)7-9-17)24-21(25)13-27-20-11-10-18-15(3)12-22(26)28-23(18)16(20)4/h6-12,19H,5,13H2,1-4H3,(H,24,25)/t19-/m0/s1
InChIKeyVTMQMLKKWBDZQG-IBGZPJMESA-N
XLogP4.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.36
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

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-octan-2-yl]acetamide
CID 8564343
N-[1-(3-chlorophenyl)ethyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 18202507
(2R)-2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
CID 44667762
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8563690
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8564314
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 8563812
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
CID 8563687
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8563671
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide (CID 8563913) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide is CC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1C)c1ccc(C)cc1.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is VTMQMLKKWBDZQG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25NO4/c1-5-19(17-8-6-14(2)7-9-17)24-21(25)13-27-20-11-10-18-15(3)12-22(26)28-23(18)16(20)4/h6-12,19H,5,13H2,1-4H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 8563913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).