N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide

C16H32N2O6 — CID 139337163

IUPACN,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
SMILESCC(O)CN(CCO)C(=O)CCCCC(=O)N(CCO)CC(C)O
InChIInChI=1S/C16H32N2O6/c1-13(21)11-17(7-9-19)15(23)5-3-4-6-16(24)18(8-10-20)12-14(2)22/h13-14,19-22H,3-12H2,1-2H3
InChIKeyRTNBYZDOKQADEA-UHFFFAOYSA-N
MW348.44 g/mol
LogP-1.05
Rot. Bonds13

About N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide

N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide (PubChem CID 139337163) has the molecular formula C16H32N2O6 and a molecular weight of 348.44 g/mol. Its IUPAC name is N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
PubChem CID139337163
Molecular FormulaC16H32N2O6
Molecular Weight348.44 g/mol
Exact Mass348.23
IUPAC NameN,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
SMILESCC(O)CN(CCO)C(=O)CCCCC(=O)N(CCO)CC(C)O
InChIInChI=1S/C16H32N2O6/c1-13(21)11-17(7-9-19)15(23)5-3-4-6-16(24)18(8-10-20)12-14(2)22/h13-14,19-22H,3-12H2,1-2H3
InChIKeyRTNBYZDOKQADEA-UHFFFAOYSA-N
XLogP-1.05
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide 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

N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide
CID 166071736
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847
N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide
CID 90111514
5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide
CID 79203472
3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82323422
N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide
CID 139639964
(Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide
CID 88834006

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide?
The IUPAC name of N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide (CID 139337163) is N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide.
What is the SMILES notation for N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide?
The canonical SMILES for N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide is CC(O)CN(CCO)C(=O)CCCCC(=O)N(CCO)CC(C)O.
What is the InChIKey of N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide?
The InChIKey is RTNBYZDOKQADEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O6/c1-13(21)11-17(7-9-19)15(23)5-3-4-6-16(24)18(8-10-20)12-14(2)22/h13-14,19-22H,3-12H2,1-2H3.
What are the key properties of N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide?
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide has a molecular weight of 348.44 g/mol, XLogP of -1.05, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide is sourced from PubChem (CID 139337163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).