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

C14H19N3O2 — CID 117407698

IUPAC1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(c2ccccc2C(=O)CN)C1=O
InChIInChI=1S/C14H19N3O2/c1-10(2)16-7-8-17(14(16)19)12-6-4-3-5-11(12)13(18)9-15/h3-6,10H,7-9,15H2,1-2H3
InChIKeyPKFYWVPPXKQARX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.48
Rot. Bonds4

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

1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 117407698) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID117407698
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(c2ccccc2C(=O)CN)C1=O
InChIInChI=1S/C14H19N3O2/c1-10(2)16-7-8-17(14(16)19)12-6-4-3-5-11(12)13(18)9-15/h3-6,10H,7-9,15H2,1-2H3
InChIKeyPKFYWVPPXKQARX-UHFFFAOYSA-N
XLogP1.48
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117440586
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
3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one
CID 117365063
2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoic acid
CID 117372986
2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone
CID 83821528
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-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
CID 83822158
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one (CID 117407698) is 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(c2ccccc2C(=O)CN)C1=O.
What is the InChIKey of 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is PKFYWVPPXKQARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)16-7-8-17(14(16)19)12-6-4-3-5-11(12)13(18)9-15/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 261.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 117407698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).