N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide

C23H45NO2 — CID 123687812

IUPACN-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide
SMILESC=CCC(C)C(C)C(O)C(CCCC)NC(=O)CC(C)C(C)C(C)CC
InChIInChI=1S/C23H45NO2/c1-9-12-14-21(23(26)20(8)17(5)13-10-2)24-22(25)15-18(6)19(7)16(4)11-3/h10,16-21,23,26H,2,9,11-15H2,1,3-8H3,(H,24,25)
InChIKeyFTFRUGGFTMWHJL-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.58
Rot. Bonds14

About N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide

N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide (PubChem CID 123687812) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide.

Molecular Properties

Compound NameN-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide
PubChem CID123687812
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC NameN-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide
SMILESC=CCC(C)C(C)C(O)C(CCCC)NC(=O)CC(C)C(C)C(C)CC
InChIInChI=1S/C23H45NO2/c1-9-12-14-21(23(26)20(8)17(5)13-10-2)24-22(25)15-18(6)19(7)16(4)11-3/h10,16-21,23,26H,2,9,11-15H2,1,3-8H3,(H,24,25)
InChIKeyFTFRUGGFTMWHJL-UHFFFAOYSA-N
XLogP5.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide?
The IUPAC name of N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide (CID 123687812) is N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide.
What is the SMILES notation for N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide?
The canonical SMILES for N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide is C=CCC(C)C(C)C(O)C(CCCC)NC(=O)CC(C)C(C)C(C)CC.
What is the InChIKey of N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide?
The InChIKey is FTFRUGGFTMWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2/c1-9-12-14-21(23(26)20(8)17(5)13-10-2)24-22(25)15-18(6)19(7)16(4)11-3/h10,16-21,23,26H,2,9,11-15H2,1,3-8H3,(H,24,25).
What are the key properties of N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide?
N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide has a molecular weight of 367.62 g/mol, XLogP of 5.58, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-7,8-dimethylundec-10-en-5-yl)-3,4,5-trimethylheptanamide is sourced from PubChem (CID 123687812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).