N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide

C21H43NO2 — CID 20746136

IUPACN-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide
SMILESCCC(C)C(C)CC(C)CC(C)C(C(=O)NC(C)C(C)O)C(C)C
InChIInChI=1S/C21H43NO2/c1-10-15(5)16(6)11-14(4)12-17(7)20(13(2)3)21(24)22-18(8)19(9)23/h13-20,23H,10-12H2,1-9H3,(H,22,24)
InChIKeyWMJUBABVEDEQIS-UHFFFAOYSA-N
MW341.58 g/mol
LogP4.88
Rot. Bonds11

About N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide

N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide (PubChem CID 20746136) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide.

Molecular Properties

Compound NameN-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide
PubChem CID20746136
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC NameN-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide
SMILESCCC(C)C(C)CC(C)CC(C)C(C(=O)NC(C)C(C)O)C(C)C
InChIInChI=1S/C21H43NO2/c1-10-15(5)16(6)11-14(4)12-17(7)20(13(2)3)21(24)22-18(8)19(9)23/h13-20,23H,10-12H2,1-9H3,(H,22,24)
InChIKeyWMJUBABVEDEQIS-UHFFFAOYSA-N
XLogP4.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide?
The IUPAC name of N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide (CID 20746136) is N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide.
What is the SMILES notation for N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide?
The canonical SMILES for N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide is CCC(C)C(C)CC(C)CC(C)C(C(=O)NC(C)C(C)O)C(C)C.
What is the InChIKey of N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide?
The InChIKey is WMJUBABVEDEQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-10-15(5)16(6)11-14(4)12-17(7)20(13(2)3)21(24)22-18(8)19(9)23/h13-20,23H,10-12H2,1-9H3,(H,22,24).
What are the key properties of N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide?
N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide has a molecular weight of 341.58 g/mol, XLogP of 4.88, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutan-2-yl)-3,5,7,8-tetramethyl-2-propan-2-yldecanamide is sourced from PubChem (CID 20746136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).