3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide

C26H25N3O4 — CID 55847244

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c30-24(15-17-29-23-9-5-4-8-22(23)25(31)28-26(29)32)27-16-14-19-10-12-21(13-11-19)33-18-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)(H,28,31,32)
InChIKeyANHZKUOUSZJSHE-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.02
Rot. Bonds9

About 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide (PubChem CID 55847244) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
PubChem CID55847244
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c30-24(15-17-29-23-9-5-4-8-22(23)25(31)28-26(29)32)27-16-14-19-10-12-21(13-11-19)33-18-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)(H,28,31,32)
InChIKeyANHZKUOUSZJSHE-UHFFFAOYSA-N
XLogP3.02
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955
4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide
CID 27259647
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 47058183
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide
CID 60513440
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
CID 60517905
3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42408672

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide (CID 55847244) is 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide?
The InChIKey is ANHZKUOUSZJSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c30-24(15-17-29-23-9-5-4-8-22(23)25(31)28-26(29)32)27-16-14-19-10-12-21(13-11-19)33-18-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)(H,28,31,32).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide has a molecular weight of 443.50 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 55847244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).