N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide

C16H33N3O4 — CID 146205305

IUPACN-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide
SMILESCCC(C)(CC)N(CCC(=O)NCCO)CCC(=O)NCCO
InChIInChI=1S/C16H33N3O4/c1-4-16(3,5-2)19(10-6-14(22)17-8-12-20)11-7-15(23)18-9-13-21/h20-21H,4-13H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyHLXJFIUDVJJORR-UHFFFAOYSA-N
MW331.46 g/mol
LogP-0.14
Rot. Bonds13

About N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide

N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide (PubChem CID 146205305) has the molecular formula C16H33N3O4 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide
PubChem CID146205305
Molecular FormulaC16H33N3O4
Molecular Weight331.46 g/mol
Exact Mass331.25
IUPAC NameN-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide
SMILESCCC(C)(CC)N(CCC(=O)NCCO)CCC(=O)NCCO
InChIInChI=1S/C16H33N3O4/c1-4-16(3,5-2)19(10-6-14(22)17-8-12-20)11-7-15(23)18-9-13-21/h20-21H,4-13H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyHLXJFIUDVJJORR-UHFFFAOYSA-N
XLogP-0.14
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-(2-hydroxyethyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 169177259
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
CID 108795355
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
4-amino-N-(2-hydroxyethyl)-4-methylpentanamide;oxalic acid
CID 88516953
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
3-hydroxy-N-pentylpropanamide
CID 94252202

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide (CID 146205305) is N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide is CCC(C)(CC)N(CCC(=O)NCCO)CCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide?
The InChIKey is HLXJFIUDVJJORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O4/c1-4-16(3,5-2)19(10-6-14(22)17-8-12-20)11-7-15(23)18-9-13-21/h20-21H,4-13H2,1-3H3,(H,17,22)(H,18,23).
What are the key properties of N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide?
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide has a molecular weight of 331.46 g/mol, XLogP of -0.14, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide is sourced from PubChem (CID 146205305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).