3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide

C19H39NO2 — CID 54419909

IUPAC3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide
SMILESCCC(C)CC(C)C(O)CC(=O)N(C(C)C)C(C)C(C)CC
InChIInChI=1S/C19H39NO2/c1-9-14(5)11-16(7)18(21)12-19(22)20(13(3)4)17(8)15(6)10-2/h13-18,21H,9-12H2,1-8H3
InChIKeyWABLFMOLCKPHKB-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.48
Rot. Bonds10

About 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide

3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide (PubChem CID 54419909) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide.

Molecular Properties

Compound Name3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide
PubChem CID54419909
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide
SMILESCCC(C)CC(C)C(O)CC(=O)N(C(C)C)C(C)C(C)CC
InChIInChI=1S/C19H39NO2/c1-9-14(5)11-16(7)18(21)12-19(22)20(13(3)4)17(8)15(6)10-2/h13-18,21H,9-12H2,1-8H3
InChIKeyWABLFMOLCKPHKB-UHFFFAOYSA-N
XLogP4.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R,4S,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one
CID 10934944
(3R,4S,7R,11S)-11-ethyl-4-hydroxy-3-[(1S)-1-hydroxyethyl]-7-methyl-azacyclotetradecan-2-one
CID 46217349
(3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one
CID 56945344
(3R,4S,7R,11S)-11-ethyl-4-hydroxy-3-[(1R)-1-hydroxyethyl]-7-methyl-azacyclotetradecan-2-one
CID 134846857
(2R,3S)-3-cyclohexyl-3-hydroxy-2-iodo-N,N-di(propan-2-yl)propanamide
CID 134934131
(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide
CID 134934560
(2R,3S)-3-hydroxy-2-iodo-N,N-di(propan-2-yl)decanamide
CID 134934756
(3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide
CID 162405033
(2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide
CID 11011232
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide?
The IUPAC name of 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide (CID 54419909) is 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide.
What is the SMILES notation for 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide?
The canonical SMILES for 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide is CCC(C)CC(C)C(O)CC(=O)N(C(C)C)C(C)C(C)CC.
What is the InChIKey of 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide?
The InChIKey is WABLFMOLCKPHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-9-14(5)11-16(7)18(21)12-19(22)20(13(3)4)17(8)15(6)10-2/h13-18,21H,9-12H2,1-8H3.
What are the key properties of 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide?
3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide has a molecular weight of 313.53 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide is sourced from PubChem (CID 54419909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).