N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide

C10H19NO2 — CID 130412607

IUPACN-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide
SMILESCC/C(=C\O)CC(C)(C)NC(C)=O
InChIInChI=1S/C10H19NO2/c1-5-9(7-12)6-10(3,4)11-8(2)13/h7,12H,5-6H2,1-4H3,(H,11,13)/b9-7+
InChIKeyGPCREJCZJBYSQY-VQHVLOKHSA-N
MW185.27 g/mol
LogP2.14
Rot. Bonds4

About N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide

N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide (PubChem CID 130412607) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide
PubChem CID130412607
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide
SMILESCC/C(=C\O)CC(C)(C)NC(C)=O
InChIInChI=1S/C10H19NO2/c1-5-9(7-12)6-10(3,4)11-8(2)13/h7,12H,5-6H2,1-4H3,(H,11,13)/b9-7+
InChIKeyGPCREJCZJBYSQY-VQHVLOKHSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
CID 139120888
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
N-(2-methylpent-4-en-2-yl)acetamide
CID 54506762
N-[(Z)-7,7,7-trichloro-6-hydroxy-2-methyl-4-oxohept-5-en-2-yl]acetamide
CID 23239290
N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406
N-[1-(dimethylamino)-2-methylpropan-2-yl]acetamide;ethane
CID 145224107
N-(5-amino-2-methylpentan-2-yl)acetamide
CID 131222896
N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide
CID 153336695
N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide
CID 146429738
N-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)acetamide
CID 166829740
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 142527857
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide?
The IUPAC name of N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide (CID 130412607) is N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide.
What is the SMILES notation for N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide?
The canonical SMILES for N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide is CC/C(=C\O)CC(C)(C)NC(C)=O.
What is the InChIKey of N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide?
The InChIKey is GPCREJCZJBYSQY-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(7-12)6-10(3,4)11-8(2)13/h7,12H,5-6H2,1-4H3,(H,11,13)/b9-7+.
What are the key properties of N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide?
N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide has a molecular weight of 185.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide is sourced from PubChem (CID 130412607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).