N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide

C11H21NO2 — CID 77114238

IUPACN-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide
SMILESCC=CC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)12-8-11(4,14)7-9(2)3/h5-6,9,14H,7-8H2,1-4H3,(H,12,13)
InChIKeyPFACDJTZGXMSFX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide

N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide (PubChem CID 77114238) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide
PubChem CID77114238
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide
SMILESCC=CC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)12-8-11(4,14)7-9(2)3/h5-6,9,14H,7-8H2,1-4H3,(H,12,13)
InChIKeyPFACDJTZGXMSFX-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)prop-2-enamide
CID 77114275
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
CID 78965876
N-(2,3-dihydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77113943
1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66172259
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide
CID 77114221
N-(2-hydroxy-2,4-dimethylpentyl)formamide
CID 66180858

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide (CID 77114238) is N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide is CC=CC(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide?
The InChIKey is PFACDJTZGXMSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-10(13)12-8-11(4,14)7-9(2)3/h5-6,9,14H,7-8H2,1-4H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide?
N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide is sourced from PubChem (CID 77114238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).