3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide

C21H19N3O3 — CID 51126583

IUPAC3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCn1cnc2c(oc3ccccc32)c1=O)NCCc1ccccc1
InChIInChI=1S/C21H19N3O3/c25-18(22-12-10-15-6-2-1-3-7-15)11-13-24-14-23-19-16-8-4-5-9-17(16)27-20(19)21(24)26/h1-9,14H,10-13H2,(H,22,25)
InChIKeyPDLYYANWXBZYDX-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.89
Rot. Bonds6

About 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide

3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 51126583) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID51126583
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCn1cnc2c(oc3ccccc32)c1=O)NCCc1ccccc1
InChIInChI=1S/C21H19N3O3/c25-18(22-12-10-15-6-2-1-3-7-15)11-13-24-14-23-19-16-8-4-5-9-17(16)27-20(19)21(24)26/h1-9,14H,10-13H2,(H,22,25)
InChIKeyPDLYYANWXBZYDX-UHFFFAOYSA-N
XLogP2.89
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26644201
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide
CID 51316282
N-[2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 33377017
N-[2-(ethylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119507744
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
methyl 6-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]hexanoate
CID 32987169
N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119620632
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55645399
3-[3-(4-methylphenyl)-7-oxo-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
CID 46384176
3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 33342432
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
CID 53028239

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide (CID 51126583) is 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide is O=C(CCn1cnc2c(oc3ccccc32)c1=O)NCCc1ccccc1.
What is the InChIKey of 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is PDLYYANWXBZYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-18(22-12-10-15-6-2-1-3-7-15)11-13-24-14-23-19-16-8-4-5-9-17(16)27-20(19)21(24)26/h1-9,14H,10-13H2,(H,22,25).
What are the key properties of 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide?
3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 361.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 51126583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).