ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol

C23H54N2O4 — CID 142302111

IUPACethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol
SMILESCC.CC.CC(=O)NCCO.CC(C)CO.CCCCCC(=O)NCCC(C)C
InChIInChI=1S/C11H23NO.C4H9NO2.C4H10O.2C2H6/c1-4-5-6-7-11(13)12-9-8-10(2)3;1-4(7)5-2-3-6;1-4(2)3-5;2*1-2/h10H,4-9H2,1-3H3,(H,12,13);6H,2-3H2,1H3,(H,5,7);4-5H,3H2,1-2H3;2*1-2H3
InChIKeyCVKVAWRFWJUYDC-UHFFFAOYSA-N
MW422.70 g/mol
LogP4.53
Rot. Bonds10

About ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol

ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol (PubChem CID 142302111) has the molecular formula C23H54N2O4 and a molecular weight of 422.70 g/mol. Its IUPAC name is ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol.

Molecular Properties

Compound Nameethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol
PubChem CID142302111
Molecular FormulaC23H54N2O4
Molecular Weight422.70 g/mol
Exact Mass422.41
IUPAC Nameethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol
SMILESCC.CC.CC(=O)NCCO.CC(C)CO.CCCCCC(=O)NCCC(C)C
InChIInChI=1S/C11H23NO.C4H9NO2.C4H10O.2C2H6/c1-4-5-6-7-11(13)12-9-8-10(2)3;1-4(7)5-2-3-6;1-4(2)3-5;2*1-2/h10H,4-9H2,1-3H3,(H,12,13);6H,2-3H2,1H3,(H,5,7);4-5H,3H2,1-2H3;2*1-2H3
InChIKeyCVKVAWRFWJUYDC-UHFFFAOYSA-N
XLogP4.53
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.70
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol?
The IUPAC name of ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol (CID 142302111) is ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol.
What is the SMILES notation for ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol?
The canonical SMILES for ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol is CC.CC.CC(=O)NCCO.CC(C)CO.CCCCCC(=O)NCCC(C)C.
What is the InChIKey of ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol?
The InChIKey is CVKVAWRFWJUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C4H9NO2.C4H10O.2C2H6/c1-4-5-6-7-11(13)12-9-8-10(2)3;1-4(7)5-2-3-6;1-4(2)3-5;2*1-2/h10H,4-9H2,1-3H3,(H,12,13);6H,2-3H2,1H3,(H,5,7);4-5H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol?
ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol has a molecular weight of 422.70 g/mol, XLogP of 4.53, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-hydroxyethyl)acetamide;N-(3-methylbutyl)hexanamide;2-methylpropan-1-ol is sourced from PubChem (CID 142302111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).