N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C24H31N5O4 — CID 74801636

IUPACN-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCCC1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)N1
InChIInChI=1S/C24H31N5O4/c1-4-16-10-20(30)27-23(25-16)29-19(11-17(28-29)14-8-9-14)26-21(31)13-32-18-7-5-6-15-12-24(2,3)33-22(15)18/h5-7,11,14,16,23,25H,4,8-10,12-13H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyBAXBPYONLYAZOB-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.84
Rot. Bonds7

About N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 74801636) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID74801636
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC NameN-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCCC1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)N1
InChIInChI=1S/C24H31N5O4/c1-4-16-10-20(30)27-23(25-16)29-19(11-17(28-29)14-8-9-14)26-21(31)13-32-18-7-5-6-15-12-24(2,3)33-22(15)18/h5-7,11,14,16,23,25H,4,8-10,12-13H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyBAXBPYONLYAZOB-UHFFFAOYSA-N
XLogP2.84
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
2-[3-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]pyrazol-1-yl]acetic acid
CID 119231234
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
dimethyl 5-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 7959511
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9439041
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 31520101
1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924632
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 16550540
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-propan-2-yl-2-pyridinyl)acetamide
CID 147150621
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7702216

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 74801636) is N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is CCC1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)N1.
What is the InChIKey of N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is BAXBPYONLYAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-4-16-10-20(30)27-23(25-16)29-19(11-17(28-29)14-8-9-14)26-21(31)13-32-18-7-5-6-15-12-24(2,3)33-22(15)18/h5-7,11,14,16,23,25H,4,8-10,12-13H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 453.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 74801636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).