N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C19H21N3O5 — CID 91790185

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NC(c1ccc2c(c1)CCO2)C1CC(O)C1
InChIInChI=1S/C19H21N3O5/c23-14-6-12(7-14)17(11-1-2-15-10(5-11)3-4-27-15)21-16(24)8-13-9-20-19(26)22-18(13)25/h1-2,5,9,12,14,17,23H,3-4,6-8H2,(H,21,24)(H2,20,22,25,26)
InChIKeyGYZHGJMGXZSEEW-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.17
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91790185) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91790185
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NC(c1ccc2c(c1)CCO2)C1CC(O)C1
InChIInChI=1S/C19H21N3O5/c23-14-6-12(7-14)17(11-1-2-15-10(5-11)3-4-27-15)21-16(24)8-13-9-20-19(26)22-18(13)25/h1-2,5,9,12,14,17,23H,3-4,6-8H2,(H,21,24)(H2,20,22,25,26)
InChIKeyGYZHGJMGXZSEEW-UHFFFAOYSA-N
XLogP0.17
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91790185) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is O=C(Cc1c[nH]c(=O)[nH]c1=O)NC(c1ccc2c(c1)CCO2)C1CC(O)C1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is GYZHGJMGXZSEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-14-6-12(7-14)17(11-1-2-15-10(5-11)3-4-27-15)21-16(24)8-13-9-20-19(26)22-18(13)25/h1-2,5,9,12,14,17,23H,3-4,6-8H2,(H,21,24)(H2,20,22,25,26).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91790185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).