N-butan-2-yl-N-(3-methoxypropyl)acetamide

C10H21NO2 — CID 20700552

IUPACN-butan-2-yl-N-(3-methoxypropyl)acetamide
SMILESCCC(C)N(CCCOC)C(C)=O
InChIInChI=1S/C10H21NO2/c1-5-9(2)11(10(3)12)7-6-8-13-4/h9H,5-8H2,1-4H3
InChIKeyCJKRGBFKGGLOTA-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About N-butan-2-yl-N-(3-methoxypropyl)acetamide

N-butan-2-yl-N-(3-methoxypropyl)acetamide (PubChem CID 20700552) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-butan-2-yl-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(3-methoxypropyl)acetamide
PubChem CID20700552
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-butan-2-yl-N-(3-methoxypropyl)acetamide
SMILESCCC(C)N(CCCOC)C(C)=O
InChIInChI=1S/C10H21NO2/c1-5-9(2)11(10(3)12)7-6-8-13-4/h9H,5-8H2,1-4H3
InChIKeyCJKRGBFKGGLOTA-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(3-methoxypropyl)acetamide?
The IUPAC name of N-butan-2-yl-N-(3-methoxypropyl)acetamide (CID 20700552) is N-butan-2-yl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for N-butan-2-yl-N-(3-methoxypropyl)acetamide is CCC(C)N(CCCOC)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-(3-methoxypropyl)acetamide?
The InChIKey is CJKRGBFKGGLOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(2)11(10(3)12)7-6-8-13-4/h9H,5-8H2,1-4H3.
What are the key properties of N-butan-2-yl-N-(3-methoxypropyl)acetamide?
N-butan-2-yl-N-(3-methoxypropyl)acetamide has a molecular weight of 187.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 20700552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).