N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide

C22H21NO5 — CID 110275052

IUPACN-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide
SMILESCOc1ccc(C(=O)c2oc3cc(NC(=O)C4CCCO4)ccc3c2C)cc1
InChIInChI=1S/C22H21NO5/c1-13-17-10-7-15(23-22(25)18-4-3-11-27-18)12-19(17)28-21(13)20(24)14-5-8-16(26-2)9-6-14/h5-10,12,18H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyVQDVBEOBXDQBDG-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide

N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide (PubChem CID 110275052) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide
PubChem CID110275052
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC NameN-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide
SMILESCOc1ccc(C(=O)c2oc3cc(NC(=O)C4CCCO4)ccc3c2C)cc1
InChIInChI=1S/C22H21NO5/c1-13-17-10-7-15(23-22(25)18-4-3-11-27-18)12-19(17)28-21(13)20(24)14-5-8-16(26-2)9-6-14/h5-10,12,18H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyVQDVBEOBXDQBDG-UHFFFAOYSA-N
XLogP4.10
TPSA77.77 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
(2R)-N-dibenzofuran-3-yloxolane-2-carboxamide
CID 7269123
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
CID 19959494
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 51936894
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide
CID 9323035

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide (CID 110275052) is N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide is COc1ccc(C(=O)c2oc3cc(NC(=O)C4CCCO4)ccc3c2C)cc1.
What is the InChIKey of N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide?
The InChIKey is VQDVBEOBXDQBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-13-17-10-7-15(23-22(25)18-4-3-11-27-18)12-19(17)28-21(13)20(24)14-5-8-16(26-2)9-6-14/h5-10,12,18H,3-4,11H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide?
N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide is sourced from PubChem (CID 110275052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).