2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide

C29H29NO5 — CID 3445869

IUPAC2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H29NO5/c1-18(34-22-16-12-20(13-17-22)29(2,3)4)28(32)30-25-23-8-6-7-9-24(23)35-27(25)26(31)19-10-14-21(33-5)15-11-19/h6-18H,1-5H3,(H,30,32)
InChIKeyPVBPTBCDWWAUMD-UHFFFAOYSA-N
MW471.55 g/mol
LogP6.38
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide

2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide (PubChem CID 3445869) has the molecular formula C29H29NO5 and a molecular weight of 471.55 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
PubChem CID3445869
Molecular FormulaC29H29NO5
Molecular Weight471.55 g/mol
Exact Mass471.20
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H29NO5/c1-18(34-22-16-12-20(13-17-22)29(2,3)4)28(32)30-25-23-8-6-7-9-24(23)35-27(25)26(31)19-10-14-21(33-5)15-11-19/h6-18H,1-5H3,(H,30,32)
InChIKeyPVBPTBCDWWAUMD-UHFFFAOYSA-N
XLogP6.38
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
CID 41294972
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848079
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137494
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 1341670

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide (CID 3445869) is 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide?
The InChIKey is PVBPTBCDWWAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO5/c1-18(34-22-16-12-20(13-17-22)29(2,3)4)28(32)30-25-23-8-6-7-9-24(23)35-27(25)26(31)19-10-14-21(33-5)15-11-19/h6-18H,1-5H3,(H,30,32).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide?
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide has a molecular weight of 471.55 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide is sourced from PubChem (CID 3445869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).