N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide

C22H23N3O4 — CID 95060754

IUPACN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)NCc1ccc2c(c1)C[C@@H](C)O2)OCCO3
InChIInChI=1S/C22H23N3O4/c1-13-7-16-8-15(3-4-19(16)29-13)11-23-22(26)12-25-14(2)24-17-9-20-21(10-18(17)25)28-6-5-27-20/h3-4,8-10,13H,5-7,11-12H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKeyMVMVPINULMSRBB-CYBMUJFWSA-N
MW393.44 g/mol
LogP2.76
Rot. Bonds4

About N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide

N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide (PubChem CID 95060754) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
PubChem CID95060754
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)NCc1ccc2c(c1)C[C@@H](C)O2)OCCO3
InChIInChI=1S/C22H23N3O4/c1-13-7-16-8-15(3-4-19(16)29-13)11-23-22(26)12-25-14(2)24-17-9-20-21(10-18(17)25)28-6-5-27-20/h3-4,8-10,13H,5-7,11-12H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKeyMVMVPINULMSRBB-CYBMUJFWSA-N
XLogP2.76
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide with MolForge

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Related Compounds

N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 125440918
N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028562
N-(3,4-dimethylphenyl)-2-(2-methyl-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525475
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 3318034
2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide
CID 95131389
4-[(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methyl]aniline
CID 82150112
2-(11-benzyl-9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
CID 110067682
N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
CID 82150232
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
CID 41176819
N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158170
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The IUPAC name of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide (CID 95060754) is N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide.
What is the SMILES notation for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The canonical SMILES for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide is Cc1nc2cc3c(cc2n1CC(=O)NCc1ccc2c(c1)C[C@@H](C)O2)OCCO3.
What is the InChIKey of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The InChIKey is MVMVPINULMSRBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-7-16-8-15(3-4-19(16)29-13)11-23-22(26)12-25-14(2)24-17-9-20-21(10-18(17)25)28-6-5-27-20/h3-4,8-10,13H,5-7,11-12H2,1-2H3,(H,23,26)/t13-/m1/s1.
What are the key properties of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide is sourced from PubChem (CID 95060754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).