2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide

C20H20N4O2 — CID 75394584

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCc1nncn1-c1cccc(NC(=O)CC2OCCc3ccccc32)c1
InChIInChI=1S/C20H20N4O2/c1-14-23-21-13-24(14)17-7-4-6-16(11-17)22-20(25)12-19-18-8-3-2-5-15(18)9-10-26-19/h2-8,11,13,19H,9-10,12H2,1H3,(H,22,25)
InChIKeyYGVSCDZNQAKZHX-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.22
Rot. Bonds4

About 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide

2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 75394584) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID75394584
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCc1nncn1-c1cccc(NC(=O)CC2OCCc3ccccc32)c1
InChIInChI=1S/C20H20N4O2/c1-14-23-21-13-24(14)17-7-4-6-16(11-17)22-20(25)12-19-18-8-3-2-5-15(18)9-10-26-19/h2-8,11,13,19H,9-10,12H2,1H3,(H,22,25)
InChIKeyYGVSCDZNQAKZHX-UHFFFAOYSA-N
XLogP3.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 119255126
2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide
CID 167821654
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 97066159
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 114984040
methyl 4-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-3-hydroxybenzoate
CID 75392069
methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate
CID 129400445
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 124563433
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 124563434
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea
CID 72878846
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide
CID 99818724
2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 146022743
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide (CID 75394584) is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide is Cc1nncn1-c1cccc(NC(=O)CC2OCCc3ccccc32)c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is YGVSCDZNQAKZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-23-21-13-24(14)17-7-4-6-16(11-17)22-20(25)12-19-18-8-3-2-5-15(18)9-10-26-19/h2-8,11,13,19H,9-10,12H2,1H3,(H,22,25).
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide?
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 75394584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).