N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide

C19H19NO3 — CID 100795374

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cc3cccc(C)c3o2)cc1
InChIInChI=1S/C19H19NO3/c1-12-5-4-6-15-11-17(23-18(12)15)19(21)20-13(2)14-7-9-16(22-3)10-8-14/h4-11,13H,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyNMVIBOCHDWWETJ-ZDUSSCGKSA-N
MW309.37 g/mol
LogP4.24
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide (PubChem CID 100795374) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
PubChem CID100795374
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cc3cccc(C)c3o2)cc1
InChIInChI=1S/C19H19NO3/c1-12-5-4-6-15-11-17(23-18(12)15)19(21)20-13(2)14-7-9-16(22-3)10-8-14/h4-11,13H,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyNMVIBOCHDWWETJ-ZDUSSCGKSA-N
XLogP4.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794315
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 133165504
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 11588130
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 86889000
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625
6-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]-4-oxopyran-2-carboxylic acid
CID 59356746

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide (CID 100795374) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide is COc1ccc([C@H](C)NC(=O)c2cc3cccc(C)c3o2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NMVIBOCHDWWETJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12-5-4-6-15-11-17(23-18(12)15)19(21)20-13(2)14-7-9-16(22-3)10-8-14/h4-11,13H,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 100795374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).