N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide

C18H35NO3 — CID 167271048

IUPACN-[(2R)-2-hydroxyhexyl]-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NC[C@H](O)CCCC
InChIInChI=1S/C18H35NO3/c1-3-5-7-8-9-10-11-13-16(20)14-18(22)19-15-17(21)12-6-4-2/h17,21H,3-15H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyKBBOCAJARTWFQW-QGZVFWFLSA-N
MW313.48 g/mol
LogP3.75
Rot. Bonds15

About N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide

N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide (PubChem CID 167271048) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxyhexyl]-3-oxododecanamide
PubChem CID167271048
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC NameN-[(2R)-2-hydroxyhexyl]-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NC[C@H](O)CCCC
InChIInChI=1S/C18H35NO3/c1-3-5-7-8-9-10-11-13-16(20)14-18(22)19-15-17(21)12-6-4-2/h17,21H,3-15H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyKBBOCAJARTWFQW-QGZVFWFLSA-N
XLogP3.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
(5R)-5-hydroxyhentriacontane-14,16-dione
CID 162890946
N-(2-hydroxyoctadecyl)-17-oxooctatriacont-29-enamide
CID 54094491
N-[(2S)-2-hydroxyoctadecyl]-31-oxodopentacont-43-enamide
CID 57306980
N-(2-hydroxyoctadecyl)-17-oxotetratriaconta-25,28-dienamide
CID 54549112
11-hydroxynonadecan-9-one
CID 100944351
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
6-hydroxypentacosan-8-one
CID 131751819
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
N-(2-hydroxypentyl)pentanamide
CID 115700612
acetamide;acetylene;N-(2-hydroxypentyl)octanamide
CID 162387958
25-hydroxyhexatetracontan-21-one
CID 163029416

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide?
The IUPAC name of N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide (CID 167271048) is N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide.
What is the SMILES notation for N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide?
The canonical SMILES for N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide is CCCCCCCCCC(=O)CC(=O)NC[C@H](O)CCCC.
What is the InChIKey of N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide?
The InChIKey is KBBOCAJARTWFQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H35NO3/c1-3-5-7-8-9-10-11-13-16(20)14-18(22)19-15-17(21)12-6-4-2/h17,21H,3-15H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide?
N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide has a molecular weight of 313.48 g/mol, XLogP of 3.75, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide is sourced from PubChem (CID 167271048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).