N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide

C20H40N2O6 — CID 22621452

IUPACN-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide
SMILESCCCCC(=O)N(CCCCCCN(OC(C)O)C(=O)CCCC)OC(C)O
InChIInChI=1S/C20H40N2O6/c1-5-7-13-19(25)21(27-17(3)23)15-11-9-10-12-16-22(28-18(4)24)20(26)14-8-6-2/h17-18,23-24H,5-16H2,1-4H3
InChIKeyPMUJQSQCZQXFTA-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.12
Rot. Bonds17

About N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide

N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide (PubChem CID 22621452) has the molecular formula C20H40N2O6 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide.

Molecular Properties

Compound NameN-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide
PubChem CID22621452
Molecular FormulaC20H40N2O6
Molecular Weight404.55 g/mol
Exact Mass404.29
IUPAC NameN-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide
SMILESCCCCC(=O)N(CCCCCCN(OC(C)O)C(=O)CCCC)OC(C)O
InChIInChI=1S/C20H40N2O6/c1-5-7-13-19(25)21(27-17(3)23)15-11-9-10-12-16-22(28-18(4)24)20(26)14-8-6-2/h17-18,23-24H,5-16H2,1-4H3
InChIKeyPMUJQSQCZQXFTA-UHFFFAOYSA-N
XLogP3.12
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-di(undecyl)pentanamide
CID 532896
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CID 143646438
N,N-di(nonyl)octanamide
CID 533141
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
[ethyl(tetradecanoyl)amino] ethanesulfonate
CID 57321291
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
N-butyl-N-octyldecanamide
CID 18913402
N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide?
The IUPAC name of N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide (CID 22621452) is N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide.
What is the SMILES notation for N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide?
The canonical SMILES for N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide is CCCCC(=O)N(CCCCCCN(OC(C)O)C(=O)CCCC)OC(C)O.
What is the InChIKey of N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide?
The InChIKey is PMUJQSQCZQXFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O6/c1-5-7-13-19(25)21(27-17(3)23)15-11-9-10-12-16-22(28-18(4)24)20(26)14-8-6-2/h17-18,23-24H,5-16H2,1-4H3.
What are the key properties of N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide?
N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide has a molecular weight of 404.55 g/mol, XLogP of 3.12, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide is sourced from PubChem (CID 22621452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).