(3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium

C23H29N4O4+ — CID 8789186

IUPAC(3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C23H28N4O4/c1-23(13-12-17-8-5-4-6-9-17)21(29)27(22(30)24-23)25-20(28)16-26(2)15-18-10-7-11-19(14-18)31-3/h4-11,14H,12-13,15-16H2,1-3H3,(H,24,30)(H,25,28)/p+1/t23-/m0/s1
InChIKeyQSDFEKLSDKVGAZ-QHCPKHFHSA-O
MW425.51 g/mol
LogP0.68
Rot. Bonds9

About (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium

(3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium (PubChem CID 8789186) has the molecular formula C23H29N4O4+ and a molecular weight of 425.51 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium
PubChem CID8789186
Molecular FormulaC23H29N4O4+
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name(3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C23H28N4O4/c1-23(13-12-17-8-5-4-6-9-17)21(29)27(22(30)24-23)25-20(28)16-26(2)15-18-10-7-11-19(14-18)31-3/h4-11,14H,12-13,15-16H2,1-3H3,(H,24,30)(H,25,28)/p+1/t23-/m0/s1
InChIKeyQSDFEKLSDKVGAZ-QHCPKHFHSA-O
XLogP0.68
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

(3-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8788750
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016403
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290607
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290608
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 18094823
benzyl-[[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9169331
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (E)-but-2-enoate
CID 9081055
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289686

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium?
The IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium (CID 8789186) is (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium?
The canonical SMILES for (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium is COc1cccc(C[NH+](C)CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium?
The InChIKey is QSDFEKLSDKVGAZ-QHCPKHFHSA-O. The full InChI is InChI=1S/C23H28N4O4/c1-23(13-12-17-8-5-4-6-9-17)21(29)27(22(30)24-23)25-20(28)16-26(2)15-18-10-7-11-19(14-18)31-3/h4-11,14H,12-13,15-16H2,1-3H3,(H,24,30)(H,25,28)/p+1/t23-/m0/s1.
What are the key properties of (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium?
(3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium has a molecular weight of 425.51 g/mol, XLogP of 0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8789186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).