N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide

C18H17NO3 — CID 39358745

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H17NO3/c1-12(13-7-9-15(21-2)10-8-13)19-18(20)17-11-14-5-3-4-6-16(14)22-17/h3-12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyRVNCILNNDNQMPE-GFCCVEGCSA-N
MW295.34 g/mol
LogP3.93
Rot. Bonds4

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 39358745) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID39358745
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H17NO3/c1-12(13-7-9-15(21-2)10-8-13)19-18(20)17-11-14-5-3-4-6-16(14)22-17/h3-12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyRVNCILNNDNQMPE-GFCCVEGCSA-N
XLogP3.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
CID 100795374
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
methyl (2S)-2-(1-benzofuran-2-carbonylamino)-3-(4-methoxyphenyl)propanoate
CID 86655478
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133189144
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133190853
N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 47111565
6-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]-4-oxopyran-2-carboxylic acid
CID 59356746
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 39358745) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is RVNCILNNDNQMPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(13-7-9-15(21-2)10-8-13)19-18(20)17-11-14-5-3-4-6-16(14)22-17/h3-12H,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39358745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).