2-ethyl-N,N-bis(hydroxymethyl)decanamide

C14H29NO3 — CID 139887025

IUPAC2-ethyl-N,N-bis(hydroxymethyl)decanamide
SMILESCCCCCCCCC(CC)C(=O)N(CO)CO
InChIInChI=1S/C14H29NO3/c1-3-5-6-7-8-9-10-13(4-2)14(18)15(11-16)12-17/h13,16-17H,3-12H2,1-2H3
InChIKeyGFBBUQTXFMMKID-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.49
Rot. Bonds11

About 2-ethyl-N,N-bis(hydroxymethyl)decanamide

2-ethyl-N,N-bis(hydroxymethyl)decanamide (PubChem CID 139887025) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-ethyl-N,N-bis(hydroxymethyl)decanamide.

Molecular Properties

Compound Name2-ethyl-N,N-bis(hydroxymethyl)decanamide
PubChem CID139887025
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-ethyl-N,N-bis(hydroxymethyl)decanamide
SMILESCCCCCCCCC(CC)C(=O)N(CO)CO
InChIInChI=1S/C14H29NO3/c1-3-5-6-7-8-9-10-13(4-2)14(18)15(11-16)12-17/h13,16-17H,3-12H2,1-2H3
InChIKeyGFBBUQTXFMMKID-UHFFFAOYSA-N
XLogP2.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-ethyl-N,N-bis(hydroxymethyl)decanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(hydroxymethyl)-2-propyloctadecanamide
CID 139887023
N,N-diethyl-2-octyldodecanamide
CID 54517458
7,10-diethylhexadecane-8,9-dione
CID 150805323
2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid
CID 175200186
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(4S)-4-ethyldecan-3-one
CID 134895926
(2R)-2-ethyldodecanoic acid
CID 98093060
2-[2-[bis(hydroxymethyl)amino]-2-oxoethyl]dodecanoic acid
CID 140660056
(Z)-12-hydroxy-N,N-bis(hydroxymethyl)-2-propyloctadec-9-enamide
CID 139887026
N-butanoyl-2-ethylnonanehydrazide
CID 175590843
5-ethylundecan-4-one
CID 11687075
2-ethyl-N,N-dimethylhexanamide
CID 3019000

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-bis(hydroxymethyl)decanamide?
The IUPAC name of 2-ethyl-N,N-bis(hydroxymethyl)decanamide (CID 139887025) is 2-ethyl-N,N-bis(hydroxymethyl)decanamide.
What is the SMILES notation for 2-ethyl-N,N-bis(hydroxymethyl)decanamide?
The canonical SMILES for 2-ethyl-N,N-bis(hydroxymethyl)decanamide is CCCCCCCCC(CC)C(=O)N(CO)CO.
What is the InChIKey of 2-ethyl-N,N-bis(hydroxymethyl)decanamide?
The InChIKey is GFBBUQTXFMMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-5-6-7-8-9-10-13(4-2)14(18)15(11-16)12-17/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-N,N-bis(hydroxymethyl)decanamide?
2-ethyl-N,N-bis(hydroxymethyl)decanamide has a molecular weight of 259.39 g/mol, XLogP of 2.49, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-bis(hydroxymethyl)decanamide is sourced from PubChem (CID 139887025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).