N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide

C14H29NO2 — CID 113239541

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-13(2,3)8-7-12(17)15-10-11(16)9-14(4,5)6/h11,16H,7-10H2,1-6H3,(H,15,17)
InChIKeyHDIQSFOMENZDRF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds5

About N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide

N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide (PubChem CID 113239541) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
PubChem CID113239541
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-13(2,3)8-7-12(17)15-10-11(16)9-14(4,5)6/h11,16H,7-10H2,1-6H3,(H,15,17)
InChIKeyHDIQSFOMENZDRF-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
CID 107153016
4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
CID 155358754
4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152864
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
2-anilino-N-(2-hydroxy-4,4-dimethylpentyl)acetamide
CID 103811917
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152806
4-[(2-hydroxy-4,4-dimethylpentyl)carbamoylamino]butanoic acid
CID 122023225
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-ethyl-2-[(2-hydroxy-4,4-dimethylpentyl)amino]acetamide
CID 107152097
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide (CID 113239541) is N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide?
The InChIKey is HDIQSFOMENZDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)8-7-12(17)15-10-11(16)9-14(4,5)6/h11,16H,7-10H2,1-6H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide?
N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 113239541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).