N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide

C14H29NO2 — CID 103945842

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
SMILESCCC(C)(CCO)NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-7-14(6,8-9-16)15-12(17)10-11(2)13(3,4)5/h11,16H,7-10H2,1-6H3,(H,15,17)
InChIKeyASOIOIFCXLXGKA-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide

N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide (PubChem CID 103945842) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
PubChem CID103945842
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
SMILESCCC(C)(CCO)NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-7-14(6,8-9-16)15-12(17)10-11(2)13(3,4)5/h11,16H,7-10H2,1-6H3,(H,15,17)
InChIKeyASOIOIFCXLXGKA-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide
CID 106176028
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide
CID 110002569
2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
3-(ethylamino)-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64550140
N-(3-carbamothioylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 63834681
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide (CID 103945842) is N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide is CCC(C)(CCO)NC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide?
The InChIKey is ASOIOIFCXLXGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-14(6,8-9-16)15-12(17)10-11(2)13(3,4)5/h11,16H,7-10H2,1-6H3,(H,15,17).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide?
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 103945842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).