1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide

C10H23N3O5 — CID 22555881

IUPAC1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide
SMILESCC(N)O.NC(=O)CCC(=O)N(CCO)CCO
InChIInChI=1S/C8H16N2O4.C2H7NO/c9-7(13)1-2-8(14)10(3-5-11)4-6-12;1-2(3)4/h11-12H,1-6H2,(H2,9,13);2,4H,3H2,1H3
InChIKeyMMYDHRQSEIGLSK-UHFFFAOYSA-N
MW265.31 g/mol
LogP-2.65
Rot. Bonds7

About 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide

1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide (PubChem CID 22555881) has the molecular formula C10H23N3O5 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide
PubChem CID22555881
Molecular FormulaC10H23N3O5
Molecular Weight265.31 g/mol
Exact Mass265.16
IUPAC Name1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide
SMILESCC(N)O.NC(=O)CCC(=O)N(CCO)CCO
InChIInChI=1S/C8H16N2O4.C2H7NO/c9-7(13)1-2-8(14)10(3-5-11)4-6-12;1-2(3)4/h11-12H,1-6H2,(H2,9,13);2,4H,3H2,1H3
InChIKeyMMYDHRQSEIGLSK-UHFFFAOYSA-N
XLogP-2.65
TPSA150.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-2.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-butyl-N-(2-hydroxyethyl)hexanamide
CID 82851620
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
1-aminoethanol;2-hydroxyacetamide
CID 160904835
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
N'-nonyl-N'-undecylbutanediamide;propane
CID 172578364
3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
CID 168940710
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 61235441
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
CID 177356910
3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide
CID 4638963
4-[bis(2-hydroxyethyl)amino]-2-methyl-4-oxobutanoic acid
CID 158712183

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide?
The IUPAC name of 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide (CID 22555881) is 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide.
What is the SMILES notation for 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide?
The canonical SMILES for 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide is CC(N)O.NC(=O)CCC(=O)N(CCO)CCO.
What is the InChIKey of 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide?
The InChIKey is MMYDHRQSEIGLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4.C2H7NO/c9-7(13)1-2-8(14)10(3-5-11)4-6-12;1-2(3)4/h11-12H,1-6H2,(H2,9,13);2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide?
1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide has a molecular weight of 265.31 g/mol, XLogP of -2.65, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 22555881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).