3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide

C15H29NO2 — CID 44560514

IUPAC3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide
SMILESC=CCNC(=O)C(C)(C)C(O)CCCCCCC
InChIInChI=1S/C15H29NO2/c1-5-7-8-9-10-11-13(17)15(3,4)14(18)16-12-6-2/h6,13,17H,2,5,7-12H2,1,3-4H3,(H,16,18)
InChIKeyMHAHJIOUYCWVQO-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.04
Rot. Bonds10

About 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide

3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide (PubChem CID 44560514) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide
PubChem CID44560514
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide
SMILESC=CCNC(=O)C(C)(C)C(O)CCCCCCC
InChIInChI=1S/C15H29NO2/c1-5-7-8-9-10-11-13(17)15(3,4)14(18)16-12-6-2/h6,13,17H,2,5,7-12H2,1,3-4H3,(H,16,18)
InChIKeyMHAHJIOUYCWVQO-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide (CID 44560514) is 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide is C=CCNC(=O)C(C)(C)C(O)CCCCCCC.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide?
The InChIKey is MHAHJIOUYCWVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-8-9-10-11-13(17)15(3,4)14(18)16-12-6-2/h6,13,17H,2,5,7-12H2,1,3-4H3,(H,16,18).
What are the key properties of 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide?
3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide has a molecular weight of 255.40 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-N-prop-2-enyldecanamide is sourced from PubChem (CID 44560514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).