2-butyl-N,N-bis(2-hydroxypropyl)octanamide

C18H37NO3 — CID 87268959

IUPAC2-butyl-N,N-bis(2-hydroxypropyl)octanamide
SMILESCCCCCCC(CCCC)C(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C18H37NO3/c1-5-7-9-10-12-17(11-8-6-2)18(22)19(13-15(3)20)14-16(4)21/h15-17,20-21H,5-14H2,1-4H3
InChIKeyXBLXCTAKUXYTTR-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.35
Rot. Bonds13

About 2-butyl-N,N-bis(2-hydroxypropyl)octanamide

2-butyl-N,N-bis(2-hydroxypropyl)octanamide (PubChem CID 87268959) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-butyl-N,N-bis(2-hydroxypropyl)octanamide.

Molecular Properties

Compound Name2-butyl-N,N-bis(2-hydroxypropyl)octanamide
PubChem CID87268959
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Name2-butyl-N,N-bis(2-hydroxypropyl)octanamide
SMILESCCCCCCC(CCCC)C(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C18H37NO3/c1-5-7-9-10-12-17(11-8-6-2)18(22)19(13-15(3)20)14-16(4)21/h15-17,20-21H,5-14H2,1-4H3
InChIKeyXBLXCTAKUXYTTR-UHFFFAOYSA-N
XLogP3.35
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,N-bis(2-hydroxypropyl)octanamide?
The IUPAC name of 2-butyl-N,N-bis(2-hydroxypropyl)octanamide (CID 87268959) is 2-butyl-N,N-bis(2-hydroxypropyl)octanamide.
What is the SMILES notation for 2-butyl-N,N-bis(2-hydroxypropyl)octanamide?
The canonical SMILES for 2-butyl-N,N-bis(2-hydroxypropyl)octanamide is CCCCCCC(CCCC)C(=O)N(CC(C)O)CC(C)O.
What is the InChIKey of 2-butyl-N,N-bis(2-hydroxypropyl)octanamide?
The InChIKey is XBLXCTAKUXYTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3/c1-5-7-9-10-12-17(11-8-6-2)18(22)19(13-15(3)20)14-16(4)21/h15-17,20-21H,5-14H2,1-4H3.
What are the key properties of 2-butyl-N,N-bis(2-hydroxypropyl)octanamide?
2-butyl-N,N-bis(2-hydroxypropyl)octanamide has a molecular weight of 315.50 g/mol, XLogP of 3.35, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,N-bis(2-hydroxypropyl)octanamide is sourced from PubChem (CID 87268959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).