1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one

C19H21N3O3 — CID 94644112

IUPAC1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccccc1COc1ccccc1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H21N3O3/c1-14(18(23)22-12-11-20-19(22)24)21-17-10-6-5-7-15(17)13-25-16-8-3-2-4-9-16/h2-10,14,21H,11-13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyNZBOGPOCUPJFPZ-AWEZNQCLSA-N
MW339.39 g/mol
LogP2.62
Rot. Bonds6

About 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one

1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one (PubChem CID 94644112) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one
PubChem CID94644112
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccccc1COc1ccccc1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H21N3O3/c1-14(18(23)22-12-11-20-19(22)24)21-17-10-6-5-7-15(17)13-25-16-8-3-2-4-9-16/h2-10,14,21H,11-13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyNZBOGPOCUPJFPZ-AWEZNQCLSA-N
XLogP2.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
CID 18091914
1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 24561870
1-[(2S)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one
CID 8549926
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
CID 94008955
1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
CID 94642990
1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8830970
1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
CID 8972263
N-methyl-3-[[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]benzamide
CID 18097406
1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 18097375
1-[2-(2,3-dihydro-1H-inden-5-ylamino)propanoyl]imidazolidin-2-one
CID 47010805
1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
CID 99825904

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one (CID 94644112) is 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one is C[C@H](Nc1ccccc1COc1ccccc1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one?
The InChIKey is NZBOGPOCUPJFPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14(18(23)22-12-11-20-19(22)24)21-17-10-6-5-7-15(17)13-25-16-8-3-2-4-9-16/h2-10,14,21H,11-13H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 94644112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).