2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide

C22H23NO4 — CID 55978454

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1C(C)C
InChIInChI=1S/C22H23NO4/c1-13(2)19-8-7-18(11-14(19)3)26-15(4)22(25)23-17-6-9-20-16(12-17)5-10-21(24)27-20/h5-13,15H,1-4H3,(H,23,25)
InChIKeyPEILVJMOCLFEPO-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.63
Rot. Bonds5

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide (PubChem CID 55978454) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
PubChem CID55978454
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1C(C)C
InChIInChI=1S/C22H23NO4/c1-13(2)19-8-7-18(11-14(19)3)26-15(4)22(25)23-17-6-9-20-16(12-17)5-10-21(24)27-20/h5-13,15H,1-4H3,(H,23,25)
InChIKeyPEILVJMOCLFEPO-UHFFFAOYSA-N
XLogP4.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.63
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

(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
(2-oxochromen-6-yl)carbamic acid
CID 18427920
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119516475
2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide
CID 171915892
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
CID 40617668

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide (CID 55978454) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide?
The InChIKey is PEILVJMOCLFEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13(2)19-8-7-18(11-14(19)3)26-15(4)22(25)23-17-6-9-20-16(12-17)5-10-21(24)27-20/h5-13,15H,1-4H3,(H,23,25).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide is sourced from PubChem (CID 55978454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).