N-dodecyl-3-(3-hydroxypropylamino)propanamide

C18H38N2O2 — CID 58164940

IUPACN-dodecyl-3-(3-hydroxypropylamino)propanamide
SMILESCCCCCCCCCCCCNC(=O)CCNCCCO
InChIInChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-15-20-18(22)13-16-19-14-12-17-21/h19,21H,2-17H2,1H3,(H,20,22)
InChIKeyWGHZPVOAYBMQOA-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.39
Rot. Bonds17

About N-dodecyl-3-(3-hydroxypropylamino)propanamide

N-dodecyl-3-(3-hydroxypropylamino)propanamide (PubChem CID 58164940) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is N-dodecyl-3-(3-hydroxypropylamino)propanamide.

Molecular Properties

Compound NameN-dodecyl-3-(3-hydroxypropylamino)propanamide
PubChem CID58164940
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC NameN-dodecyl-3-(3-hydroxypropylamino)propanamide
SMILESCCCCCCCCCCCCNC(=O)CCNCCCO
InChIInChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-15-20-18(22)13-16-19-14-12-17-21/h19,21H,2-17H2,1H3,(H,20,22)
InChIKeyWGHZPVOAYBMQOA-UHFFFAOYSA-N
XLogP3.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(3-hydroxypropyl)amino]propanamide;N-dodecyl-3-(3-hydroxypropylamino)propanamide;methane
CID 159916447
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
N-heptadecyl-4-hydroxybutanamide
CID 100934326
N-(3-hydroxypropyl)docosanamide
CID 87200048
4-hydroxy-N-tetracosylbutanamide
CID 141048355
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
CID 158068509
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-3-(3-hydroxypropylamino)propanamide?
The IUPAC name of N-dodecyl-3-(3-hydroxypropylamino)propanamide (CID 58164940) is N-dodecyl-3-(3-hydroxypropylamino)propanamide.
What is the SMILES notation for N-dodecyl-3-(3-hydroxypropylamino)propanamide?
The canonical SMILES for N-dodecyl-3-(3-hydroxypropylamino)propanamide is CCCCCCCCCCCCNC(=O)CCNCCCO.
What is the InChIKey of N-dodecyl-3-(3-hydroxypropylamino)propanamide?
The InChIKey is WGHZPVOAYBMQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-15-20-18(22)13-16-19-14-12-17-21/h19,21H,2-17H2,1H3,(H,20,22).
What are the key properties of N-dodecyl-3-(3-hydroxypropylamino)propanamide?
N-dodecyl-3-(3-hydroxypropylamino)propanamide has a molecular weight of 314.51 g/mol, XLogP of 3.39, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3-(3-hydroxypropylamino)propanamide is sourced from PubChem (CID 58164940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).