N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide

C16H33NO2 — CID 54994470

IUPACN-(2-hydroxyethyl)-N-pentan-3-ylnonanamide
SMILESCCCCCCCCC(=O)N(CCO)C(CC)CC
InChIInChI=1S/C16H33NO2/c1-4-7-8-9-10-11-12-16(19)17(13-14-18)15(5-2)6-3/h15,18H,4-14H2,1-3H3
InChIKeyRQZQLSRGXPQYAZ-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.75
Rot. Bonds12

About N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide

N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide (PubChem CID 54994470) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-ylnonanamide
PubChem CID54994470
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-ylnonanamide
SMILESCCCCCCCCC(=O)N(CCO)C(CC)CC
InChIInChI=1S/C16H33NO2/c1-4-7-8-9-10-11-12-16(19)17(13-14-18)15(5-2)6-3/h15,18H,4-14H2,1-3H3
InChIKeyRQZQLSRGXPQYAZ-UHFFFAOYSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
CID 54563283
sodium 3-amino-3-[dodecanoyl(2-hydroxyethyl)amino]propanoate
CID 158887853
[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium
CID 175579288
N-[1-[2-[bis[2-[[2-[dodecanoyl(2-hydroxyethyl)amino]-3-methylbutanoyl]amino]ethyl]amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-(2-hydroxyethyl)dodecanamide
CID 170099115
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
methyl 3-[tetracosan-11-yl(tetradecanoyl)amino]propanoate
CID 123456537
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N-(1-aminoethyl)-N-pentan-3-yloctadecanamide
CID 174390514
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide (CID 54994470) is N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide is CCCCCCCCC(=O)N(CCO)C(CC)CC.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide?
The InChIKey is RQZQLSRGXPQYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-7-8-9-10-11-12-16(19)17(13-14-18)15(5-2)6-3/h15,18H,4-14H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide?
N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide has a molecular weight of 271.44 g/mol, XLogP of 3.75, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide is sourced from PubChem (CID 54994470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).