2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide

C22H21NO5 — CID 7432101

IUPAC2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C22H21NO5/c1-22(2,3)21(26)23-16-8-4-14(5-9-16)18(24)13-27-17-10-6-15-7-11-20(25)28-19(15)12-17/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyMIHVOQWQSBTVAB-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.04
Rot. Bonds5

About 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide

2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide (PubChem CID 7432101) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide
PubChem CID7432101
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C22H21NO5/c1-22(2,3)21(26)23-16-8-4-14(5-9-16)18(24)13-27-17-10-6-15-7-11-20(25)28-19(15)12-17/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyMIHVOQWQSBTVAB-UHFFFAOYSA-N
XLogP4.04
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55355911
7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
CID 7565097
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]phenyl]-2,2-dimethylpropanamide
CID 7432990
2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8882835
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
6-phenacyloxychromen-2-one
CID 127037717
4-[(2-oxochromen-7-yl)oxymethoxy]benzoic acid
CID 59211340
[2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55468723
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide (CID 7432101) is 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide?
The InChIKey is MIHVOQWQSBTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-22(2,3)21(26)23-16-8-4-14(5-9-16)18(24)13-27-17-10-6-15-7-11-20(25)28-19(15)12-17/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide?
2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide has a molecular weight of 379.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide is sourced from PubChem (CID 7432101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).