2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C23H29N3O3 — CID 42370379

IUPAC2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)CC2CCCCC2)C3)nn1
InChIInChI=1S/C23H29N3O3/c1-15-10-17-13-18(14-24-21(27)12-16-6-4-3-5-7-16)29-23(17)19(11-15)20-8-9-22(28-2)26-25-20/h8-11,16,18H,3-7,12-14H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyMFSZMSAICCJQKX-SFHVURJKSA-N
MW395.50 g/mol
LogP3.85
Rot. Bonds6

About 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 42370379) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID42370379
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)CC2CCCCC2)C3)nn1
InChIInChI=1S/C23H29N3O3/c1-15-10-17-13-18(14-24-21(27)12-16-6-4-3-5-7-16)29-23(17)19(11-15)20-8-9-22(28-2)26-25-20/h8-11,16,18H,3-7,12-14H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyMFSZMSAICCJQKX-SFHVURJKSA-N
XLogP3.85
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42321882
2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26351632
N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 45180127
2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 45176718
N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 42341452
(E)-3-(2-chlorophenyl)-N-[[(2S)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 26275004
4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide
CID 45230098
2,2-dimethyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42319769
N-[[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 42484035
3-(3,5-dimethylpyrazol-1-yl)-N-[[(2S)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42168889
methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate
CID 42501902
N-(cyclohexylmethyl)-2-(6-methoxypyridazin-3-yl)benzamide
CID 134803663

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 42370379) is 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)CC2CCCCC2)C3)nn1.
What is the InChIKey of 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is MFSZMSAICCJQKX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-10-17-13-18(14-24-21(27)12-16-6-4-3-5-7-16)29-23(17)19(11-15)20-8-9-22(28-2)26-25-20/h8-11,16,18H,3-7,12-14H2,1-2H3,(H,24,27)/t18-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 42370379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).