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

C10H21N3O4 — CID 86062914

IUPACN-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
SMILESO=C(CCNCCC(=O)NCCO)NCCO
InChIInChI=1S/C10H21N3O4/c14-7-5-12-9(16)1-3-11-4-2-10(17)13-6-8-15/h11,14-15H,1-8H2,(H,12,16)(H,13,17)
InChIKeyVIUUEXUVNFCPBZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP-2.43
Rot. Bonds10

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

N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide (PubChem CID 86062914) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
PubChem CID86062914
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC NameN-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
SMILESO=C(CCNCCC(=O)NCCO)NCCO
InChIInChI=1S/C10H21N3O4/c14-7-5-12-9(16)1-3-11-4-2-10(17)13-6-8-15/h11,14-15H,1-8H2,(H,12,16)(H,13,17)
InChIKeyVIUUEXUVNFCPBZ-UHFFFAOYSA-N
XLogP-2.43
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-2.43
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

[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
CID 89354433
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
N-dodecyl-3-(3-hydroxypropylamino)propanamide
CID 58164940
9-(2-hydroxyethylamino)-9-oxononanoic acid
CID 57483082
N-ethyl-3-(6-hydroxyhexylamino)propanamide
CID 107703596
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide
CID 89061387

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide (CID 86062914) is N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide is O=C(CCNCCC(=O)NCCO)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide?
The InChIKey is VIUUEXUVNFCPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c14-7-5-12-9(16)1-3-11-4-2-10(17)13-6-8-15/h11,14-15H,1-8H2,(H,12,16)(H,13,17).
What are the key properties of N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide?
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide has a molecular weight of 247.29 g/mol, XLogP of -2.43, 10 rotatable bonds, 5 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]amino]propanamide is sourced from PubChem (CID 86062914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).