N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

C16H32N4O4 — CID 91759535

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILESC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCOCCOCCN
InChIInChI=1S/C16H32N4O4/c1-13-14(20-16(22)19-13)5-3-2-4-6-15(21)18-8-10-24-12-11-23-9-7-17/h13-14H,2-12,17H2,1H3,(H,18,21)(H2,19,20,22)/t13-,14+/m0/s1
InChIKeyJMZMBLMMFCKEDJ-UONOGXRCSA-N
MW344.46 g/mol
LogP0.11
Rot. Bonds14

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (PubChem CID 91759535) has the molecular formula C16H32N4O4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
PubChem CID91759535
Molecular FormulaC16H32N4O4
Molecular Weight344.46 g/mol
Exact Mass344.24
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILESC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCOCCOCCN
InChIInChI=1S/C16H32N4O4/c1-13-14(20-16(22)19-13)5-3-2-4-6-15(21)18-8-10-24-12-11-23-9-7-17/h13-14H,2-12,17H2,1H3,(H,18,21)(H2,19,20,22)/t13-,14+/m0/s1
InChIKeyJMZMBLMMFCKEDJ-UONOGXRCSA-N
XLogP0.11
TPSA114.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 102339873
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-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 131983512
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-[(3aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide
CID 135254925
5-[(3aS,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 99713832
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pentanamide
CID 11199678
5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 142899224
5-[(3aS,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 98590439
5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 137334012
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
CID 161383427

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (CID 91759535) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The InChIKey is JMZMBLMMFCKEDJ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H32N4O4/c1-13-14(20-16(22)19-13)5-3-2-4-6-15(21)18-8-10-24-12-11-23-9-7-17/h13-14H,2-12,17H2,1H3,(H,18,21)(H2,19,20,22)/t13-,14+/m0/s1.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide has a molecular weight of 344.46 g/mol, XLogP of 0.11, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is sourced from PubChem (CID 91759535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).