1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one

C20H23N3O5 — CID 24624045

IUPAC1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
SMILESCOc1ccc(Oc2cc(NC(C)C(=O)N3CCNC3=O)ccc2OC)cc1
InChIInChI=1S/C20H23N3O5/c1-13(19(24)23-11-10-21-20(23)25)22-14-4-9-17(27-3)18(12-14)28-16-7-5-15(26-2)6-8-16/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,25)
InChIKeyGEEXZPWUGDPMKZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.85
Rot. Bonds7

About 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one

1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one (PubChem CID 24624045) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
PubChem CID24624045
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
SMILESCOc1ccc(Oc2cc(NC(C)C(=O)N3CCNC3=O)ccc2OC)cc1
InChIInChI=1S/C20H23N3O5/c1-13(19(24)23-11-10-21-20(23)25)22-14-4-9-17(27-3)18(12-14)28-16-7-5-15(26-2)6-8-16/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,25)
InChIKeyGEEXZPWUGDPMKZ-UHFFFAOYSA-N
XLogP2.85
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 25329944
1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 24561870
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
CID 94008955
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
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoyl]imidazolidin-2-one
CID 31877165
1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one
CID 35625729
1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
CID 47010755
1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one
CID 39975466
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
CID 11933997

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one (CID 24624045) is 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one is COc1ccc(Oc2cc(NC(C)C(=O)N3CCNC3=O)ccc2OC)cc1.
What is the InChIKey of 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one?
The InChIKey is GEEXZPWUGDPMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-13(19(24)23-11-10-21-20(23)25)22-14-4-9-17(27-3)18(12-14)28-16-7-5-15(26-2)6-8-16/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,25).
What are the key properties of 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one?
1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one has a molecular weight of 385.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 24624045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).