4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide

C14H28N2O4 — CID 167208778

IUPAC4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide
SMILESCCC(CCC(=O)NCCO)CCC(=O)NCCCO
InChIInChI=1S/C14H28N2O4/c1-2-12(5-7-14(20)16-9-11-18)4-6-13(19)15-8-3-10-17/h12,17-18H,2-11H2,1H3,(H,15,19)(H,16,20)
InChIKeyVVTYDXPFOLBOPV-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.18
Rot. Bonds12

About 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide

4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide (PubChem CID 167208778) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide
PubChem CID167208778
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide
SMILESCCC(CCC(=O)NCCO)CCC(=O)NCCCO
InChIInChI=1S/C14H28N2O4/c1-2-12(5-7-14(20)16-9-11-18)4-6-13(19)15-8-3-10-17/h12,17-18H,2-11H2,1H3,(H,15,19)(H,16,20)
InChIKeyVVTYDXPFOLBOPV-UHFFFAOYSA-N
XLogP0.18
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733
N-(3-hydroxypropyl)docosanamide
CID 87200048
N-(4-ethylhexyl)hexanamide
CID 155589140
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide
CID 123167057
4-hydroxy-N-tetracosylbutanamide
CID 141048355

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide?
The IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide (CID 167208778) is 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide is CCC(CCC(=O)NCCO)CCC(=O)NCCCO.
What is the InChIKey of 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide?
The InChIKey is VVTYDXPFOLBOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-2-12(5-7-14(20)16-9-11-18)4-6-13(19)15-8-3-10-17/h12,17-18H,2-11H2,1H3,(H,15,19)(H,16,20).
What are the key properties of 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide?
4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide has a molecular weight of 288.39 g/mol, XLogP of 0.18, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide is sourced from PubChem (CID 167208778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).