3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide

C21H21NO3 — CID 7688362

IUPAC3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)N[C@@H]2CCCc3ccccc32)oc2ccccc12
InChIInChI=1S/C21H21NO3/c1-24-13-17-16-10-4-5-12-19(16)25-20(17)21(23)22-18-11-6-8-14-7-2-3-9-15(14)18/h2-5,7,9-10,12,18H,6,8,11,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyCPZLOPSVENLDSL-GOSISDBHSA-N
MW335.40 g/mol
LogP4.39
Rot. Bonds4

About 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 7688362) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
PubChem CID7688362
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)N[C@@H]2CCCc3ccccc32)oc2ccccc12
InChIInChI=1S/C21H21NO3/c1-24-13-17-16-10-4-5-12-19(16)25-20(17)21(23)22-18-11-6-8-14-7-2-3-9-15(14)18/h2-5,7,9-10,12,18H,6,8,11,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyCPZLOPSVENLDSL-GOSISDBHSA-N
XLogP4.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylsulfanylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 2506003
5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 9344736
3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 3487710
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 42887665
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 38016871
N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-2-carboxamide
CID 5135545
4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95293549

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide (CID 7688362) is 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)N[C@@H]2CCCc3ccccc32)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is CPZLOPSVENLDSL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21NO3/c1-24-13-17-16-10-4-5-12-19(16)25-20(17)21(23)22-18-11-6-8-14-7-2-3-9-15(14)18/h2-5,7,9-10,12,18H,6,8,11,13H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7688362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).