3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide

C20H21N3O3 — CID 26006226

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-14(15-7-3-2-4-8-15)13-21-18(24)11-12-23-17-10-6-5-9-16(17)19(25)22-20(23)26/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,25,26)/t14-/m0/s1
InChIKeyYMTRZNKGFJARLR-AWEZNQCLSA-N
MW351.41 g/mol
LogP2.00
Rot. Bonds6

About 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide (PubChem CID 26006226) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
PubChem CID26006226
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-14(15-7-3-2-4-8-15)13-21-18(24)11-12-23-17-10-6-5-9-16(17)19(25)22-20(23)26/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,25,26)/t14-/m0/s1
InChIKeyYMTRZNKGFJARLR-AWEZNQCLSA-N
XLogP2.00
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55694795
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 34457663
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 55454336
propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
CID 46662323
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98954680
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide
CID 46662175
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25479451
3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide (CID 26006226) is 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide is C[C@@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The InChIKey is YMTRZNKGFJARLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(15-7-3-2-4-8-15)13-21-18(24)11-12-23-17-10-6-5-9-16(17)19(25)22-20(23)26/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,25,26)/t14-/m0/s1.
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide is sourced from PubChem (CID 26006226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).