heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide

C15H33N3O4 — CID 142436923

IUPACheptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide
SMILESCCCCCCC.O=C(CNCC(=O)NCCO)NCCO
InChIInChI=1S/C8H17N3O4.C7H16/c12-3-1-10-7(14)5-9-6-8(15)11-2-4-13;1-3-5-7-6-4-2/h9,12-13H,1-6H2,(H,10,14)(H,11,15);3-7H2,1-2H3
InChIKeyVJRLTVXUDJLWMD-UHFFFAOYSA-N
MW319.45 g/mol
LogP-0.23
Rot. Bonds12

About heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide

heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide (PubChem CID 142436923) has the molecular formula C15H33N3O4 and a molecular weight of 319.45 g/mol. Its IUPAC name is heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Nameheptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide
PubChem CID142436923
Molecular FormulaC15H33N3O4
Molecular Weight319.45 g/mol
Exact Mass319.25
IUPAC Nameheptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide
SMILESCCCCCCC.O=C(CNCC(=O)NCCO)NCCO
InChIInChI=1S/C8H17N3O4.C7H16/c12-3-1-10-7(14)5-9-6-8(15)11-2-4-13;1-3-5-7-6-4-2/h9,12-13H,1-6H2,(H,10,14)(H,11,15);3-7H2,1-2H3
InChIKeyVJRLTVXUDJLWMD-UHFFFAOYSA-N
XLogP-0.23
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 5-0.23
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

N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-pentyl-2-(pentylamino)acetamide
CID 109005932
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide
CID 123271475
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
N-[3-(2-hydroxyethylamino)propyl]docosanamide
CID 87068513
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459

Frequently Asked Questions

What is the IUPAC name of heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide (CID 142436923) is heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide is CCCCCCC.O=C(CNCC(=O)NCCO)NCCO.
What is the InChIKey of heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is VJRLTVXUDJLWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4.C7H16/c12-3-1-10-7(14)5-9-6-8(15)11-2-4-13;1-3-5-7-6-4-2/h9,12-13H,1-6H2,(H,10,14)(H,11,15);3-7H2,1-2H3.
What are the key properties of heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide?
heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 319.45 g/mol, XLogP of -0.23, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 142436923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).