4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide

C15H30N2O4 — CID 143599719

IUPAC4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide
SMILESCNC(=O)CCC(C)(C)OCCOC(C)(C)CNC(C)=O
InChIInChI=1S/C15H30N2O4/c1-12(18)17-11-15(4,5)21-10-9-20-14(2,3)8-7-13(19)16-6/h7-11H2,1-6H3,(H,16,19)(H,17,18)
InChIKeySAMRUPHVDKXWSR-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.24
Rot. Bonds10

About 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide

4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide (PubChem CID 143599719) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide
PubChem CID143599719
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide
SMILESCNC(=O)CCC(C)(C)OCCOC(C)(C)CNC(C)=O
InChIInChI=1S/C15H30N2O4/c1-12(18)17-11-15(4,5)21-10-9-20-14(2,3)8-7-13(19)16-6/h7-11H2,1-6H3,(H,16,19)(H,17,18)
InChIKeySAMRUPHVDKXWSR-UHFFFAOYSA-N
XLogP1.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
CID 147135875
N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride
CID 166716428
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-methyl-2-[2-(2-methylpentan-2-yloxy)ethoxy]acetamide
CID 166730060
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
4-hydroxy-N,4-dimethylpentanamide
CID 131039941
S-[3-[[2-methyl-2-[3-methyl-3-(3-oxobutoxy)butoxy]propyl]amino]-3-oxopropyl] ethanethioate
CID 166977674
2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide
CID 170010587
3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide
CID 167281122
4-amino-N,N',4-trimethylheptanediamide
CID 90077858

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide?
The IUPAC name of 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide (CID 143599719) is 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide.
What is the SMILES notation for 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide?
The canonical SMILES for 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide is CNC(=O)CCC(C)(C)OCCOC(C)(C)CNC(C)=O.
What is the InChIKey of 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide?
The InChIKey is SAMRUPHVDKXWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-12(18)17-11-15(4,5)21-10-9-20-14(2,3)8-7-13(19)16-6/h7-11H2,1-6H3,(H,16,19)(H,17,18).
What are the key properties of 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide?
4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide has a molecular weight of 302.42 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide is sourced from PubChem (CID 143599719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).