2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C22H22N4O2 — CID 47005278

IUPAC2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ncnc3c2oc2ccccc23)c(C)c1
InChIInChI=1S/C22H22N4O2/c1-13-9-14(2)19(15(3)10-13)25-18(27)11-26(4)22-21-20(23-12-24-22)16-7-5-6-8-17(16)28-21/h5-10,12H,11H2,1-4H3,(H,25,27)
InChIKeyVTBIHXWKQHESPC-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.38
Rot. Bonds4

About 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 47005278) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID47005278
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ncnc3c2oc2ccccc23)c(C)c1
InChIInChI=1S/C22H22N4O2/c1-13-9-14(2)19(15(3)10-13)25-18(27)11-26(4)22-21-20(23-12-24-22)16-7-5-6-8-17(16)28-21/h5-10,12H,11H2,1-4H3,(H,25,27)
InChIKeyVTBIHXWKQHESPC-UHFFFAOYSA-N
XLogP4.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 86946093
N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide
CID 133303979
2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide
CID 133272030
N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 56777633
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133307707
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 32682406
3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 26072070
2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196073
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
ethyl 5-methyl-4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26455008

Frequently Asked Questions

What is the IUPAC name of 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 47005278) is 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ncnc3c2oc2ccccc23)c(C)c1.
What is the InChIKey of 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VTBIHXWKQHESPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-9-14(2)19(15(3)10-13)25-18(27)11-26(4)22-21-20(23-12-24-22)16-7-5-6-8-17(16)28-21/h5-10,12H,11H2,1-4H3,(H,25,27).
What are the key properties of 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 374.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 47005278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).