N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide

C20H21N3O2 — CID 136587134

IUPACN-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1nn(C)c2ccccc12)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H21N3O2/c1-13(14-7-8-19-15(11-14)9-10-25-19)21-20(24)12-17-16-5-3-4-6-18(16)23(2)22-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyRSGGAGUBXZIYEE-CYBMUJFWSA-N
MW335.41 g/mol
LogP2.93
Rot. Bonds4

About N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide

N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide (PubChem CID 136587134) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide
PubChem CID136587134
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1nn(C)c2ccccc12)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H21N3O2/c1-13(14-7-8-19-15(11-14)9-10-25-19)21-20(24)12-17-16-5-3-4-6-18(16)23(2)22-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyRSGGAGUBXZIYEE-CYBMUJFWSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 134036096
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 46957009
3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
CID 122107082
N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide
CID 166411557
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51592399
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 51587150
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46971557
N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
CID 136588214
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582479
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582478
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900436

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide (CID 136587134) is N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide is C[C@@H](NC(=O)Cc1nn(C)c2ccccc12)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide?
The InChIKey is RSGGAGUBXZIYEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(14-7-8-19-15(11-14)9-10-25-19)21-20(24)12-17-16-5-3-4-6-18(16)23(2)22-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide?
N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide is sourced from PubChem (CID 136587134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).