N-ethyl-N,2-dihydroxytridecanamide

C15H31NO3 — CID 174289903

IUPACN-ethyl-N,2-dihydroxytridecanamide
SMILESCCCCCCCCCCCC(O)C(=O)N(O)CC
InChIInChI=1S/C15H31NO3/c1-3-5-6-7-8-9-10-11-12-13-14(17)15(18)16(19)4-2/h14,17,19H,3-13H2,1-2H3
InChIKeyRMRCQQLFRWEWKA-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.51
Rot. Bonds12

About N-ethyl-N,2-dihydroxytridecanamide

N-ethyl-N,2-dihydroxytridecanamide (PubChem CID 174289903) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-ethyl-N,2-dihydroxytridecanamide.

Molecular Properties

Compound NameN-ethyl-N,2-dihydroxytridecanamide
PubChem CID174289903
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-ethyl-N,2-dihydroxytridecanamide
SMILESCCCCCCCCCCCC(O)C(=O)N(O)CC
InChIInChI=1S/C15H31NO3/c1-3-5-6-7-8-9-10-11-12-13-14(17)15(18)16(19)4-2/h14,17,19H,3-13H2,1-2H3
InChIKeyRMRCQQLFRWEWKA-UHFFFAOYSA-N
XLogP3.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dihydroxytridecanamide?
The IUPAC name of N-ethyl-N,2-dihydroxytridecanamide (CID 174289903) is N-ethyl-N,2-dihydroxytridecanamide.
What is the SMILES notation for N-ethyl-N,2-dihydroxytridecanamide?
The canonical SMILES for N-ethyl-N,2-dihydroxytridecanamide is CCCCCCCCCCCC(O)C(=O)N(O)CC.
What is the InChIKey of N-ethyl-N,2-dihydroxytridecanamide?
The InChIKey is RMRCQQLFRWEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-5-6-7-8-9-10-11-12-13-14(17)15(18)16(19)4-2/h14,17,19H,3-13H2,1-2H3.
What are the key properties of N-ethyl-N,2-dihydroxytridecanamide?
N-ethyl-N,2-dihydroxytridecanamide has a molecular weight of 273.42 g/mol, XLogP of 3.51, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dihydroxytridecanamide is sourced from PubChem (CID 174289903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).