(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

C27H25NO4 — CID 41137494

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C27H25NO4/c1-16-12-14-20(15-13-16)25(29)26-24(21-9-5-6-10-23(21)32-26)28-27(30)19(4)31-22-11-7-8-17(2)18(22)3/h5-15,19H,1-4H3,(H,28,30)/t19-/m1/s1
InChIKeyQXISYYBIXRHEQI-LJQANCHMSA-N
MW427.50 g/mol
LogP6.00
Rot. Bonds6

About (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide (PubChem CID 41137494) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
PubChem CID41137494
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C27H25NO4/c1-16-12-14-20(15-13-16)25(29)26-24(21-9-5-6-10-23(21)32-26)28-27(30)19(4)31-22-11-7-8-17(2)18(22)3/h5-15,19H,1-4H3,(H,28,30)/t19-/m1/s1
InChIKeyQXISYYBIXRHEQI-LJQANCHMSA-N
XLogP6.00
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 19114858
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 18848009
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3324905
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848079
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
2-(2,3-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 18291295
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide (CID 41137494) is (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide?
The InChIKey is QXISYYBIXRHEQI-LJQANCHMSA-N. The full InChI is InChI=1S/C27H25NO4/c1-16-12-14-20(15-13-16)25(29)26-24(21-9-5-6-10-23(21)32-26)28-27(30)19(4)31-22-11-7-8-17(2)18(22)3/h5-15,19H,1-4H3,(H,28,30)/t19-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide has a molecular weight of 427.50 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide is sourced from PubChem (CID 41137494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).