1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen

C13H33NO3 — CID 169251341

IUPAC1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen
SMILESCC.CC(=O)NCC(C)C.COCCCOC.[H][H]
InChIInChI=1S/C6H13NO.C5H12O2.C2H6.H2/c1-5(2)4-7-6(3)8;1-6-4-3-5-7-2;1-2;/h5H,4H2,1-3H3,(H,7,8);3-5H2,1-2H3;1-2H3;1H
InChIKeyRMQDNWIJZNROJX-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.72
Rot. Bonds6

About 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen

1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen (PubChem CID 169251341) has the molecular formula C13H33NO3 and a molecular weight of 251.41 g/mol. Its IUPAC name is 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen
PubChem CID169251341
Molecular FormulaC13H33NO3
Molecular Weight251.41 g/mol
Exact Mass251.25
IUPAC Name1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen
SMILESCC.CC(=O)NCC(C)C.COCCCOC.[H][H]
InChIInChI=1S/C6H13NO.C5H12O2.C2H6.H2/c1-5(2)4-7-6(3)8;1-6-4-3-5-7-2;1-2;/h5H,4H2,1-3H3,(H,7,8);3-5H2,1-2H3;1-2H3;1H
InChIKeyRMQDNWIJZNROJX-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-methylpropyl)acetamide
CID 142232237
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
N-[4-(3-methoxypropoxy)butyl]acetamide
CID 134356384
N-(2-methoxypropyl)acetamide
CID 90876780
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
ethane;methyl 3-(acetamidomethyl)-5-methylhexanoate
CID 156715100

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen?
The IUPAC name of 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen (CID 169251341) is 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen.
What is the SMILES notation for 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen?
The canonical SMILES for 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen is CC.CC(=O)NCC(C)C.COCCCOC.[H][H].
What is the InChIKey of 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen?
The InChIKey is RMQDNWIJZNROJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H12O2.C2H6.H2/c1-5(2)4-7-6(3)8;1-6-4-3-5-7-2;1-2;/h5H,4H2,1-3H3,(H,7,8);3-5H2,1-2H3;1-2H3;1H.
What are the key properties of 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen?
1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen has a molecular weight of 251.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen is sourced from PubChem (CID 169251341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).