methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate

C19H27N3O5 — CID 7347354

IUPACmethyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@@H]2C)cc1
InChIInChI=1S/C19H27N3O5/c1-13-16(22-19(25)20-13)6-4-3-5-7-17(23)21-14-8-10-15(11-9-14)27-12-18(24)26-2/h8-11,13,16H,3-7,12H2,1-2H3,(H,21,23)(H2,20,22,25)/t13-,16+/m1/s1
InChIKeyHXOAPVRZQGHNGT-CJNGLKHVSA-N
MW377.44 g/mol
LogP2.20
Rot. Bonds10

About methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate

methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate (PubChem CID 7347354) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate
PubChem CID7347354
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namemethyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@@H]2C)cc1
InChIInChI=1S/C19H27N3O5/c1-13-16(22-19(25)20-13)6-4-3-5-7-17(23)21-14-8-10-15(11-9-14)27-12-18(24)26-2/h8-11,13,16H,3-7,12H2,1-2H3,(H,21,23)(H2,20,22,25)/t13-,16+/m1/s1
InChIKeyHXOAPVRZQGHNGT-CJNGLKHVSA-N
XLogP2.20
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate with MolForge

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Related Compounds

6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
N-(3,5-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5305481
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
CID 55709060
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813
(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
CID 59253966
N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 131983512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate (CID 7347354) is methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@@H]2C)cc1.
What is the InChIKey of methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate?
The InChIKey is HXOAPVRZQGHNGT-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-13-16(22-19(25)20-13)6-4-3-5-7-17(23)21-14-8-10-15(11-9-14)27-12-18(24)26-2/h8-11,13,16H,3-7,12H2,1-2H3,(H,21,23)(H2,20,22,25)/t13-,16+/m1/s1.
What are the key properties of methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate?
methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate has a molecular weight of 377.44 g/mol, XLogP of 2.20, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]phenoxy]acetate is sourced from PubChem (CID 7347354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).