N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide

C18H21N3O4 — CID 39945277

IUPACN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCOc1cc2c(cc1CNC(=O)Cn1cccnc1=O)O[C@@H](C)C2
InChIInChI=1S/C18H21N3O4/c1-3-24-15-8-13-7-12(2)25-16(13)9-14(15)10-20-17(22)11-21-6-4-5-19-18(21)23/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyLDZYVLSNYVMONT-LBPRGKRZSA-N
MW343.38 g/mol
LogP1.28
Rot. Bonds6

About N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39945277) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39945277
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCOc1cc2c(cc1CNC(=O)Cn1cccnc1=O)O[C@@H](C)C2
InChIInChI=1S/C18H21N3O4/c1-3-24-15-8-13-7-12(2)25-16(13)9-14(15)10-20-17(22)11-21-6-4-5-19-18(21)23/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyLDZYVLSNYVMONT-LBPRGKRZSA-N
XLogP1.28
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
CID 92784205
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9400409
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8595779
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786685
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47094380
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 39966605
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 18118380
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 92784936
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 92784935
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934556
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934557
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
CID 41176819

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 39945277) is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide is CCOc1cc2c(cc1CNC(=O)Cn1cccnc1=O)O[C@@H](C)C2.
What is the InChIKey of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is LDZYVLSNYVMONT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-24-15-8-13-7-12(2)25-16(13)9-14(15)10-20-17(22)11-21-6-4-5-19-18(21)23/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39945277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).