N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

C20H19N3O5 — CID 51306905

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O5/c1-12(13-6-7-16-17(10-13)28-11-27-16)21-18(24)8-9-23-15-5-3-2-4-14(15)19(25)22-20(23)26/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyYFMNPJUCQRQEML-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.69
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 51306905) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID51306905
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O5/c1-12(13-6-7-16-17(10-13)28-11-27-16)21-18(24)8-9-23-15-5-3-2-4-14(15)19(25)22-20(23)26/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyYFMNPJUCQRQEML-UHFFFAOYSA-N
XLogP1.69
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51323878
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
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
CID 46662323
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 24547729
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817273
N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119615038
5-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 39853266
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60853625

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 51306905) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is CC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is YFMNPJUCQRQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-12(13-6-7-16-17(10-13)28-11-27-16)21-18(24)8-9-23-15-5-3-2-4-14(15)19(25)22-20(23)26/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)(H,22,25,26).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 381.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 51306905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).