1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one

C20H23N3O3 — CID 24561870

IUPAC1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
SMILESCOc1ccc(NC(C)C(=O)N2CCNC2=O)cc1Cc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-14(19(24)23-11-10-21-20(23)25)22-17-8-9-18(26-2)16(13-17)12-15-6-4-3-5-7-15/h3-9,13-14,22H,10-12H2,1-2H3,(H,21,25)
InChIKeyJOXOPPBRDXTPFS-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.64
Rot. Bonds6

About 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one

1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one (PubChem CID 24561870) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
PubChem CID24561870
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
SMILESCOc1ccc(NC(C)C(=O)N2CCNC2=O)cc1Cc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-14(19(24)23-11-10-21-20(23)25)22-17-8-9-18(26-2)16(13-17)12-15-6-4-3-5-7-15/h3-9,13-14,22H,10-12H2,1-2H3,(H,21,25)
InChIKeyJOXOPPBRDXTPFS-UHFFFAOYSA-N
XLogP2.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 18097375
1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
CID 24624045
1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
CID 47010755
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
CID 94008955
N-methyl-3-[[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]benzamide
CID 18097406
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
1-[2-(2,3-dihydro-1H-inden-5-ylamino)propanoyl]imidazolidin-2-one
CID 47010805
2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24564727
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoyl]imidazolidin-2-one
CID 31877165
1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one
CID 94644112
1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one
CID 35625729
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8955988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one (CID 24561870) is 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one is COc1ccc(NC(C)C(=O)N2CCNC2=O)cc1Cc1ccccc1.
What is the InChIKey of 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one?
The InChIKey is JOXOPPBRDXTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(19(24)23-11-10-21-20(23)25)22-17-8-9-18(26-2)16(13-17)12-15-6-4-3-5-7-15/h3-9,13-14,22H,10-12H2,1-2H3,(H,21,25).
What are the key properties of 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one?
1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 24561870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).