(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

C16H24N3O3+ — CID 8695189

IUPAC(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESCCOc1ccc(C[NH+](C)[C@@H](C)C(=O)N2CCNC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-4-22-14-7-5-13(6-8-14)11-18(3)12(2)15(20)19-10-9-17-16(19)21/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)/p+1/t12-/m0/s1
InChIKeyWITLLKSUQVETCD-LBPRGKRZSA-O
MW306.39 g/mol
LogP0.04
Rot. Bonds6

About (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (PubChem CID 8695189) has the molecular formula C16H24N3O3+ and a molecular weight of 306.39 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
PubChem CID8695189
Molecular FormulaC16H24N3O3+
Molecular Weight306.39 g/mol
Exact Mass306.18
IUPAC Name(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESCCOc1ccc(C[NH+](C)[C@@H](C)C(=O)N2CCNC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-4-22-14-7-5-13(6-8-14)11-18(3)12(2)15(20)19-10-9-17-16(19)21/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)/p+1/t12-/m0/s1
InChIKeyWITLLKSUQVETCD-LBPRGKRZSA-O
XLogP0.04
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8794536
(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8541172
(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8694080
methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8804576
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8798946
1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one
CID 134008026
1-[(2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 8995851
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8515355
methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028478
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8694902
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46621587

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The IUPAC name of (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (CID 8695189) is (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is CCOc1ccc(C[NH+](C)[C@@H](C)C(=O)N2CCNC2=O)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The InChIKey is WITLLKSUQVETCD-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H23N3O3/c1-4-22-14-7-5-13(6-8-14)11-18(3)12(2)15(20)19-10-9-17-16(19)21/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)/p+1/t12-/m0/s1.
What are the key properties of (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium has a molecular weight of 306.39 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8695189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).