N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide

C19H18N2O4 — CID 71939160

IUPACN-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)N(C)c3ccc(C(N)=O)cc3)c2c1
InChIInChI=1S/C19H18N2O4/c1-11-17(15-10-14(24-3)8-9-16(15)25-11)19(23)21(2)13-6-4-12(5-7-13)18(20)22/h4-10H,1-3H3,(H2,20,22)
InChIKeyLMAFOGCHWGZETN-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.13
Rot. Bonds4

About N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide

N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 71939160) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID71939160
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)N(C)c3ccc(C(N)=O)cc3)c2c1
InChIInChI=1S/C19H18N2O4/c1-11-17(15-10-14(24-3)8-9-16(15)25-11)19(23)21(2)13-6-4-12(5-7-13)18(20)22/h4-10H,1-3H3,(H2,20,22)
InChIKeyLMAFOGCHWGZETN-UHFFFAOYSA-N
XLogP3.13
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 877207
N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 47047818
N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111331196
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
CID 3124075
N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 139003783
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 71939160) is N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)N(C)c3ccc(C(N)=O)cc3)c2c1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is LMAFOGCHWGZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-17(15-10-14(24-3)8-9-16(15)25-11)19(23)21(2)13-6-4-12(5-7-13)18(20)22/h4-10H,1-3H3,(H2,20,22).
What are the key properties of N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71939160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).