N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

C20H21N3O3 — CID 121090581

IUPACN-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-2-3-5-15-7-9-16(10-8-15)22-19(24)13-23-14-21-17(12-20(23)25)18-6-4-11-26-18/h4,6-12,14H,2-3,5,13H2,1H3,(H,22,24)
InChIKeyQHRHTMYJZXVIPV-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.48
Rot. Bonds7

About N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121090581) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121090581
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-2-3-5-15-7-9-16(10-8-15)22-19(24)13-23-14-21-17(12-20(23)25)18-6-4-11-26-18/h4,6-12,14H,2-3,5,13H2,1H3,(H,22,24)
InChIKeyQHRHTMYJZXVIPV-UHFFFAOYSA-N
XLogP3.48
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337
N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688106
N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121090735
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-quinolin-6-ylacetamide
CID 121090721
N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
CID 121090653
N-ethyl-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 121090622

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (CID 121090581) is N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is CCCCc1ccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is QHRHTMYJZXVIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-3-5-15-7-9-16(10-8-15)22-19(24)13-23-14-21-17(12-20(23)25)18-6-4-11-26-18/h4,6-12,14H,2-3,5,13H2,1H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121090581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).