N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide

C21H22N2O4 — CID 120947243

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)NCC3CNCC3O)oc2c1
InChIInChI=1S/C21H22N2O4/c1-26-15-7-8-16-18(9-15)27-20(19(16)13-5-3-2-4-6-13)21(25)23-11-14-10-22-12-17(14)24/h2-9,14,17,22,24H,10-12H2,1H3,(H,23,25)
InChIKeyJWGGSMSRTLHQSS-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.42
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide (PubChem CID 120947243) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
PubChem CID120947243
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)NCC3CNCC3O)oc2c1
InChIInChI=1S/C21H22N2O4/c1-26-15-7-8-16-18(9-15)27-20(19(16)13-5-3-2-4-6-13)21(25)23-11-14-10-22-12-17(14)24/h2-9,14,17,22,24H,10-12H2,1H3,(H,23,25)
InChIKeyJWGGSMSRTLHQSS-UHFFFAOYSA-N
XLogP2.42
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 167854184
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 56576859
6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551546
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide
CID 120944262
(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone
CID 119374183
(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86878769
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
CID 120945808
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide (CID 120947243) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide is COc1ccc2c(-c3ccccc3)c(C(=O)NCC3CNCC3O)oc2c1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is JWGGSMSRTLHQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-15-7-8-16-18(9-15)27-20(19(16)13-5-3-2-4-6-13)21(25)23-11-14-10-22-12-17(14)24/h2-9,14,17,22,24H,10-12H2,1H3,(H,23,25).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 120947243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).