5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide

C19H39NO2 — CID 130388255

IUPAC5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide
SMILESCCC(C)(CC(C)(C)C(C)(C)C(=O)NCC(C)O)C(C)(C)C
InChIInChI=1S/C19H39NO2/c1-11-19(10,16(3,4)5)13-17(6,7)18(8,9)15(22)20-12-14(2)21/h14,21H,11-13H2,1-10H3,(H,20,22)
InChIKeyJQVPASKVVURUSQ-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.39
Rot. Bonds7

About 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide

5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide (PubChem CID 130388255) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide
PubChem CID130388255
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide
SMILESCCC(C)(CC(C)(C)C(C)(C)C(=O)NCC(C)O)C(C)(C)C
InChIInChI=1S/C19H39NO2/c1-11-19(10,16(3,4)5)13-17(6,7)18(8,9)15(22)20-12-14(2)21/h14,21H,11-13H2,1-10H3,(H,20,22)
InChIKeyJQVPASKVVURUSQ-UHFFFAOYSA-N
XLogP4.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide?
The IUPAC name of 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide (CID 130388255) is 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide is CCC(C)(CC(C)(C)C(C)(C)C(=O)NCC(C)O)C(C)(C)C.
What is the InChIKey of 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide?
The InChIKey is JQVPASKVVURUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-11-19(10,16(3,4)5)13-17(6,7)18(8,9)15(22)20-12-14(2)21/h14,21H,11-13H2,1-10H3,(H,20,22).
What are the key properties of 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide?
5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide has a molecular weight of 313.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide is sourced from PubChem (CID 130388255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).