1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one

C15H21N3O2 — CID 117440586

IUPAC1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(c2ccccc2C(=O)CCN)C1=O
InChIInChI=1S/C15H21N3O2/c1-11(2)17-9-10-18(15(17)20)13-6-4-3-5-12(13)14(19)7-8-16/h3-6,11H,7-10,16H2,1-2H3
InChIKeyMCEDXYPITAJYAI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one

1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 117440586) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID117440586
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(c2ccccc2C(=O)CCN)C1=O
InChIInChI=1S/C15H21N3O2/c1-11(2)17-9-10-18(15(17)20)13-6-4-3-5-12(13)14(19)7-8-16/h3-6,11H,7-10,16H2,1-2H3
InChIKeyMCEDXYPITAJYAI-UHFFFAOYSA-N
XLogP1.87
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117407698
1-[2-(3-aminopropanoyl)phenyl]-3-methylimidazolidin-2-one
CID 117370660
1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117402443
1-[2-(2-aminopropan-2-yl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117408491
1-[2-(1-aminocyclopentyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117464112
1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
CID 83822158
2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoic acid
CID 117372986
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 63777654
4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117444266
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid
CID 63778034
1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 110669768
1-(2-piperidin-1-ylphenyl)butan-1-one
CID 10489705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one (CID 117440586) is 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(c2ccccc2C(=O)CCN)C1=O.
What is the InChIKey of 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is MCEDXYPITAJYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)17-9-10-18(15(17)20)13-6-4-3-5-12(13)14(19)7-8-16/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 117440586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).