3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide

C12H25NO2 — CID 155613017

IUPAC3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-10(14)13-7-8-15-12(4,5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyXXNICIIDAFVZMN-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds4

About 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide

3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide (PubChem CID 155613017) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
PubChem CID155613017
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-10(14)13-7-8-15-12(4,5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyXXNICIIDAFVZMN-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
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

2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide
CID 161203588
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
CID 20736984
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
S-methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamothioate
CID 139518855
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
(1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate
CID 145127892

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide (CID 155613017) is 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide is CC(C)(C)CC(=O)NCCOC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide?
The InChIKey is XXNICIIDAFVZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)9-10(14)13-7-8-15-12(4,5)6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide?
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide has a molecular weight of 215.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide is sourced from PubChem (CID 155613017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).