N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen

C12H27NO2 — CID 169251402

IUPACN-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen
SMILESCCOCCC(NC(=O)C(C)C)C(C)C.[H][H]
InChIInChI=1S/C12H25NO2.H2/c1-6-15-8-7-11(9(2)3)13-12(14)10(4)5;/h9-11H,6-8H2,1-5H3,(H,13,14);1H
InChIKeyRDTDDOHMXNUIKB-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.46
Rot. Bonds7

About N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen

N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen (PubChem CID 169251402) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen
PubChem CID169251402
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen
SMILESCCOCCC(NC(=O)C(C)C)C(C)C.[H][H]
InChIInChI=1S/C12H25NO2.H2/c1-6-15-8-7-11(9(2)3)13-12(14)10(4)5;/h9-11H,6-8H2,1-5H3,(H,13,14);1H
InChIKeyRDTDDOHMXNUIKB-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.46
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

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
N-(1-ethoxy-3-methylbutan-2-yl)-2-methoxypropanamide
CID 103274835
N-(1-methoxy-4-methylpentan-3-yl)propanamide
CID 163271813
N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide
CID 155094769
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
N-(5-ethoxypentan-2-yl)acetamide
CID 89138295
N-(1-amino-4-methylpentan-3-yl)-2-methylbutanamide
CID 106356922
N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide
CID 106355055
N-(1-diethoxyphosphorylethyl)-2-methylpropanamide
CID 118391289
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473
2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen (CID 169251402) is N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen is CCOCCC(NC(=O)C(C)C)C(C)C.[H][H].
What is the InChIKey of N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen?
The InChIKey is RDTDDOHMXNUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.H2/c1-6-15-8-7-11(9(2)3)13-12(14)10(4)5;/h9-11H,6-8H2,1-5H3,(H,13,14);1H.
What are the key properties of N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen?
N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen has a molecular weight of 217.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-4-methylpentan-3-yl)-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 169251402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).