(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

C22H28N3O4+ — CID 8694080

IUPAC(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESCOc1cc(C[NH+](C)[C@@H](C)C(=O)N2CCNC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C22H27N3O4/c1-16(21(26)25-12-11-23-22(25)27)24(2)14-18-9-10-19(20(13-18)28-3)29-15-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,27)/p+1/t16-/m0/s1
InChIKeyUOKCMOBNJAEUAI-INIZCTEOSA-O
MW398.48 g/mol
LogP1.23
Rot. Bonds8

About (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (PubChem CID 8694080) has the molecular formula C22H28N3O4+ and a molecular weight of 398.48 g/mol. Its IUPAC name is (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
PubChem CID8694080
Molecular FormulaC22H28N3O4+
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESCOc1cc(C[NH+](C)[C@@H](C)C(=O)N2CCNC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C22H27N3O4/c1-16(21(26)25-12-11-23-22(25)27)24(2)14-18-9-10-19(20(13-18)28-3)29-15-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,27)/p+1/t16-/m0/s1
InChIKeyUOKCMOBNJAEUAI-INIZCTEOSA-O
XLogP1.23
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium with MolForge

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8774013
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694028
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694030
(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8695189
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium
CID 7509381
1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 24561870
2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The IUPAC name of (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (CID 8694080) is (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.
What is the SMILES notation for (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The canonical SMILES for (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is COc1cc(C[NH+](C)[C@@H](C)C(=O)N2CCNC2=O)ccc1OCc1ccccc1.
What is the InChIKey of (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The InChIKey is UOKCMOBNJAEUAI-INIZCTEOSA-O. The full InChI is InChI=1S/C22H27N3O4/c1-16(21(26)25-12-11-23-22(25)27)24(2)14-18-9-10-19(20(13-18)28-3)29-15-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,27)/p+1/t16-/m0/s1.
What are the key properties of (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium has a molecular weight of 398.48 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8694080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).