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

C13H25NO2 — CID 77114221

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-11(4)12(15)14-9-13(5,16)8-10(2)3/h7,10,16H,6,8-9H2,1-5H3,(H,14,15)
InChIKeyATLPDMLXGKUFEE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.26
Rot. Bonds6

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

N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide (PubChem CID 77114221) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide
PubChem CID77114221
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-11(4)12(15)14-9-13(5,16)8-10(2)3/h7,10,16H,6,8-9H2,1-5H3,(H,14,15)
InChIKeyATLPDMLXGKUFEE-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.26
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

(Z)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpent-2-enamide
CID 81485320
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
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)but-2-enamide
CID 77114238
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769
2-ethyl-2-[(2-methylpent-2-enoylamino)methyl]butanoic acid
CID 91941445
N-(2-hydroxy-2,4-dimethylpentyl)-2-propylpentanamide
CID 82986949
3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66179484
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
CID 79349609
1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66172259

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide (CID 77114221) is N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide?
The InChIKey is ATLPDMLXGKUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-7-11(4)12(15)14-9-13(5,16)8-10(2)3/h7,10,16H,6,8-9H2,1-5H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.26, 6 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)-2-methylpent-2-enamide is sourced from PubChem (CID 77114221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).