N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

C19H36N6O5 — CID 102339873

IUPACN-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILESC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCOCCCOCCCOCN=[N+]=[N-]
InChIInChI=1S/C19H36N6O5/c1-16-17(24-19(27)23-16)7-3-2-4-8-18(26)21-9-14-29-12-5-10-28-11-6-13-30-15-22-25-20/h16-17H,2-15H2,1H3,(H,21,26)(H2,23,24,27)/t16-,17+/m0/s1
InChIKeyMSFYJVDWAKGBMT-DLBZAZTESA-N
MW428.53 g/mol
LogP2.22
Rot. Bonds19

About N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (PubChem CID 102339873) has the molecular formula C19H36N6O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.

Molecular Properties

Compound NameN-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
PubChem CID102339873
Molecular FormulaC19H36N6O5
Molecular Weight428.53 g/mol
Exact Mass428.27
IUPAC NameN-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILESC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCOCCCOCCCOCN=[N+]=[N-]
InChIInChI=1S/C19H36N6O5/c1-16-17(24-19(27)23-16)7-3-2-4-8-18(26)21-9-14-29-12-5-10-28-11-6-13-30-15-22-25-20/h16-17H,2-15H2,1H3,(H,21,26)(H2,23,24,27)/t16-,17+/m0/s1
InChIKeyMSFYJVDWAKGBMT-DLBZAZTESA-N
XLogP2.22
TPSA146.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 91759535
N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 131983512
N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 158684524
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide
CID 152724052
(2,5-dioxopyrrolidin-1-yl) 6-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]hexanoate
CID 101206729
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[2-[2-[3-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]pentanamide
CID 99713872
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[6-[(4R,5S)-5-methyl-2-sulfanylideneimidazolidin-4-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 87428859

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The IUPAC name of N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (CID 102339873) is N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.
What is the SMILES notation for N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The canonical SMILES for N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCOCCCOCCCOCN=[N+]=[N-].
What is the InChIKey of N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The InChIKey is MSFYJVDWAKGBMT-DLBZAZTESA-N. The full InChI is InChI=1S/C19H36N6O5/c1-16-17(24-19(27)23-16)7-3-2-4-8-18(26)21-9-14-29-12-5-10-28-11-6-13-30-15-22-25-20/h16-17H,2-15H2,1H3,(H,21,26)(H2,23,24,27)/t16-,17+/m0/s1.
What are the key properties of N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide has a molecular weight of 428.53 g/mol, XLogP of 2.22, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is sourced from PubChem (CID 102339873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).