2-(4-methoxybutylamino)-N-pentan-2-ylacetamide

C12H26N2O2 — CID 60976896

IUPAC2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNCCCCOC
InChIInChI=1S/C12H26N2O2/c1-4-7-11(2)14-12(15)10-13-8-5-6-9-16-3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyKDUKKVLHXVYXDK-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds10

About 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide

2-(4-methoxybutylamino)-N-pentan-2-ylacetamide (PubChem CID 60976896) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
PubChem CID60976896
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNCCCCOC
InChIInChI=1S/C12H26N2O2/c1-4-7-11(2)14-12(15)10-13-8-5-6-9-16-3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyKDUKKVLHXVYXDK-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
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

2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide
CID 64911612
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
2-(2-methoxypropylamino)-N-pentan-2-ylacetamide
CID 102697868
N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 112685329
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
CID 43473540
N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119796579
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide
CID 59074160
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
CID 79282260
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide (CID 60976896) is 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNCCCCOC.
What is the InChIKey of 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide?
The InChIKey is KDUKKVLHXVYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-7-11(2)14-12(15)10-13-8-5-6-9-16-3/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide?
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide has a molecular weight of 230.35 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutylamino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60976896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).