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

C17H17N3O4 — CID 91760252

IUPACN-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1c(CNC(=O)Cc2c[nH]c(=O)n(C)c2=O)oc2ccccc12
InChIInChI=1S/C17H17N3O4/c1-10-12-5-3-4-6-13(12)24-14(10)9-18-15(21)7-11-8-19-17(23)20(2)16(11)22/h3-6,8H,7,9H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyVMSGPNGSHCJGTE-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.99
Rot. Bonds4

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

N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91760252) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91760252
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1c(CNC(=O)Cc2c[nH]c(=O)n(C)c2=O)oc2ccccc12
InChIInChI=1S/C17H17N3O4/c1-10-12-5-3-4-6-13(12)24-14(10)9-18-15(21)7-11-8-19-17(23)20(2)16(11)22/h3-6,8H,7,9H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyVMSGPNGSHCJGTE-UHFFFAOYSA-N
XLogP0.99
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 72907586
2-(2-methoxyethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789587
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118509
2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118508
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70734151
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91768357
N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide
CID 102134690
N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70768806

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91760252) is N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1c(CNC(=O)Cc2c[nH]c(=O)n(C)c2=O)oc2ccccc12.
What is the InChIKey of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is VMSGPNGSHCJGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-12-5-3-4-6-13(12)24-14(10)9-18-15(21)7-11-8-19-17(23)20(2)16(11)22/h3-6,8H,7,9H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91760252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).