N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide

C12H26N2O2 — CID 62337444

IUPACN-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
SMILESCCCNCCOCC(=O)NC(C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-5-6-13-7-8-16-9-12(15)14-11(4)10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyHGXNFFZVKGCKKT-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.16
Rot. Bonds9

About N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide

N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide (PubChem CID 62337444) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
PubChem CID62337444
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
SMILESCCCNCCOCC(=O)NC(C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-5-6-13-7-8-16-9-12(15)14-11(4)10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyHGXNFFZVKGCKKT-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutan-2-yl)-2-[2-(propan-2-ylamino)ethoxy]acetamide
CID 62341645
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-(2-ethoxyethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489218
N-(2-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 62335943
2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62337065
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
N-(oxan-4-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 55182455
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide (CID 62337444) is N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide is CCCNCCOCC(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide?
The InChIKey is HGXNFFZVKGCKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-6-13-7-8-16-9-12(15)14-11(4)10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide?
N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide has a molecular weight of 230.35 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide is sourced from PubChem (CID 62337444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).