6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide

C12H24N4O4 — CID 123271475

IUPAC6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide
SMILESNC(=O)CCCCCNC(=O)CNCC(=O)NCCO
InChIInChI=1S/C12H24N4O4/c13-10(18)4-2-1-3-5-15-11(19)8-14-9-12(20)16-6-7-17/h14,17H,1-9H2,(H2,13,18)(H,15,19)(H,16,20)
InChIKeyNXIJXUCDFYBYIQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP-2.15
Rot. Bonds12

About 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide

6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide (PubChem CID 123271475) has the molecular formula C12H24N4O4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide.

Molecular Properties

Compound Name6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide
PubChem CID123271475
Molecular FormulaC12H24N4O4
Molecular Weight288.35 g/mol
Exact Mass288.18
IUPAC Name6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide
SMILESNC(=O)CCCCCNC(=O)CNCC(=O)NCCO
InChIInChI=1S/C12H24N4O4/c13-10(18)4-2-1-3-5-15-11(19)8-14-9-12(20)16-6-7-17/h14,17H,1-9H2,(H2,13,18)(H,15,19)(H,16,20)
InChIKeyNXIJXUCDFYBYIQ-UHFFFAOYSA-N
XLogP-2.15
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-2.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-(2-hydroxyethyl)octadec-9-enediamide
CID 87767010
heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide
CID 142436923
11-(propanoylamino)undecanamide
CID 89244012
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N'-docosyldocosanediamide
CID 91257562
N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide
CID 123137828
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
9-(2-hydroxyethylamino)-9-oxononanoic acid
CID 57483082
3-(5-hydroxypentylamino)propanamide
CID 62227149

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide?
The IUPAC name of 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide (CID 123271475) is 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide.
What is the SMILES notation for 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide?
The canonical SMILES for 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide is NC(=O)CCCCCNC(=O)CNCC(=O)NCCO.
What is the InChIKey of 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide?
The InChIKey is NXIJXUCDFYBYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4/c13-10(18)4-2-1-3-5-15-11(19)8-14-9-12(20)16-6-7-17/h14,17H,1-9H2,(H2,13,18)(H,15,19)(H,16,20).
What are the key properties of 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide?
6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide has a molecular weight of 288.35 g/mol, XLogP of -2.15, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide is sourced from PubChem (CID 123271475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).