N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C18H26N6O2 — CID 42155428

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N(C)C[C@H]1Cc2ccccc2O1
InChIInChI=1S/C18H26N6O2/c1-13(2)22(3)11-17-19-20-21-24(17)12-18(25)23(4)10-15-9-14-7-5-6-8-16(14)26-15/h5-8,13,15H,9-12H2,1-4H3/t15-/m1/s1
InChIKeyFQUOWJIOBUDENQ-OAHLLOKOSA-N
MW358.45 g/mol
LogP0.98
Rot. Bonds7

About N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 42155428) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID42155428
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N(C)C[C@H]1Cc2ccccc2O1
InChIInChI=1S/C18H26N6O2/c1-13(2)22(3)11-17-19-20-21-24(17)12-18(25)23(4)10-15-9-14-7-5-6-8-16(14)26-15/h5-8,13,15H,9-12H2,1-4H3/t15-/m1/s1
InChIKeyFQUOWJIOBUDENQ-OAHLLOKOSA-N
XLogP0.98
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 42241219
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]-N-methylacetamide
CID 29087580
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 42591469
N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 23724008
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CID 56854414
N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 42244551
2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]acetic acid
CID 66348185
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 29023368
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
CID 125165888
N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 25366317
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 42155428) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)N(C)C[C@H]1Cc2ccccc2O1.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is FQUOWJIOBUDENQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13(2)22(3)11-17-19-20-21-24(17)12-18(25)23(4)10-15-9-14-7-5-6-8-16(14)26-15/h5-8,13,15H,9-12H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 42155428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).