N-(5-ethoxypentan-2-yl)acetamide

C9H19NO2 — CID 89138295

IUPACN-(5-ethoxypentan-2-yl)acetamide
SMILESCCOCCCC(C)NC(C)=O
InChIInChI=1S/C9H19NO2/c1-4-12-7-5-6-8(2)10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyXXQHOJFENVVSEB-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds6

About N-(5-ethoxypentan-2-yl)acetamide

N-(5-ethoxypentan-2-yl)acetamide (PubChem CID 89138295) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(5-ethoxypentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethoxypentan-2-yl)acetamide
PubChem CID89138295
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(5-ethoxypentan-2-yl)acetamide
SMILESCCOCCCC(C)NC(C)=O
InChIInChI=1S/C9H19NO2/c1-4-12-7-5-6-8(2)10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyXXQHOJFENVVSEB-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-2-ylacetamide;methane
CID 161054772
(2R)-5-ethoxy-N-methylpentan-2-amine
CID 93424576
ethane;N-(1-ethoxypropan-2-yl)acetamide;methanol
CID 156707108
methyl 5-ethoxy-2-methylpentanoate
CID 123669552
4-ethoxy-N-(4-hydroxybutan-2-yl)butanamide
CID 81048367
6-ethoxy-3-ethylhexan-2-one
CID 65180817
N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
CID 104872961
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
5-ethoxy-2-methoxycarbonylpentanoic acid
CID 103973323
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
(2R)-2-acetamido-3-(3-ethoxypropylsulfanyl)propanoic acid
CID 107774697
2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate
CID 153316173

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxypentan-2-yl)acetamide?
The IUPAC name of N-(5-ethoxypentan-2-yl)acetamide (CID 89138295) is N-(5-ethoxypentan-2-yl)acetamide.
What is the SMILES notation for N-(5-ethoxypentan-2-yl)acetamide?
The canonical SMILES for N-(5-ethoxypentan-2-yl)acetamide is CCOCCCC(C)NC(C)=O.
What is the InChIKey of N-(5-ethoxypentan-2-yl)acetamide?
The InChIKey is XXQHOJFENVVSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-12-7-5-6-8(2)10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(5-ethoxypentan-2-yl)acetamide?
N-(5-ethoxypentan-2-yl)acetamide has a molecular weight of 173.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxypentan-2-yl)acetamide is sourced from PubChem (CID 89138295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).