N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide

C22H19NO4 — CID 95367182

IUPACN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@H](O)c3cccc4ccccc34)oc12
InChIInChI=1S/C22H19NO4/c1-26-19-11-5-8-15-12-20(27-21(15)19)22(25)23-13-18(24)17-10-4-7-14-6-2-3-9-16(14)17/h2-12,18,24H,13H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyXDTRPVIWWKMHJI-SFHVURJKSA-N
MW361.40 g/mol
LogP4.06
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 95367182) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID95367182
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC NameN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@H](O)c3cccc4ccccc34)oc12
InChIInChI=1S/C22H19NO4/c1-26-19-11-5-8-15-12-20(27-21(15)19)22(25)23-13-18(24)17-10-4-7-14-6-2-3-9-16(14)17/h2-12,18,24H,13H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyXDTRPVIWWKMHJI-SFHVURJKSA-N
XLogP4.06
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 90497338
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 71810493
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95368202
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 124727390
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53281678
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide
CID 95367180
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 95367182) is N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC[C@H](O)c3cccc4ccccc34)oc12.
What is the InChIKey of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is XDTRPVIWWKMHJI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-19-11-5-8-15-12-20(27-21(15)19)22(25)23-13-18(24)17-10-4-7-14-6-2-3-9-16(14)17/h2-12,18,24H,13H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95367182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).