N-(5-hydroxyoxan-3-yl)-10-methylundecanamide

C17H33NO3 — CID 123146003

IUPACN-(5-hydroxyoxan-3-yl)-10-methylundecanamide
SMILESCC(C)CCCCCCCCC(=O)NC1COCC(O)C1
InChIInChI=1S/C17H33NO3/c1-14(2)9-7-5-3-4-6-8-10-17(20)18-15-11-16(19)13-21-12-15/h14-16,19H,3-13H2,1-2H3,(H,18,20)
InChIKeyYHVGQSFDLJHFSS-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.03
Rot. Bonds10

About N-(5-hydroxyoxan-3-yl)-10-methylundecanamide

N-(5-hydroxyoxan-3-yl)-10-methylundecanamide (PubChem CID 123146003) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is N-(5-hydroxyoxan-3-yl)-10-methylundecanamide.

Molecular Properties

Compound NameN-(5-hydroxyoxan-3-yl)-10-methylundecanamide
PubChem CID123146003
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC NameN-(5-hydroxyoxan-3-yl)-10-methylundecanamide
SMILESCC(C)CCCCCCCCC(=O)NC1COCC(O)C1
InChIInChI=1S/C17H33NO3/c1-14(2)9-7-5-3-4-6-8-10-17(20)18-15-11-16(19)13-21-12-15/h14-16,19H,3-13H2,1-2H3,(H,18,20)
InChIKeyYHVGQSFDLJHFSS-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 166461461
N-(3-aminocyclopentyl)-5-methylhexanamide
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4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
CID 57354386
CID 57354386
7-methyl-N-oxidooctanamide
CID 56842822
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
11-methyl-N-oxidododecanamide
CID 71301385
5-bromo-N-(3-hydroxycyclobutyl)pentanamide
CID 107910240
N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide
CID 111204664
N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide
CID 143289321
oxetan-3-yl 2,7-dimethyloctanoate
CID 155029124
16-methylheptadecanoic acid
CID 87200881

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxyoxan-3-yl)-10-methylundecanamide?
The IUPAC name of N-(5-hydroxyoxan-3-yl)-10-methylundecanamide (CID 123146003) is N-(5-hydroxyoxan-3-yl)-10-methylundecanamide.
What is the SMILES notation for N-(5-hydroxyoxan-3-yl)-10-methylundecanamide?
The canonical SMILES for N-(5-hydroxyoxan-3-yl)-10-methylundecanamide is CC(C)CCCCCCCCC(=O)NC1COCC(O)C1.
What is the InChIKey of N-(5-hydroxyoxan-3-yl)-10-methylundecanamide?
The InChIKey is YHVGQSFDLJHFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-14(2)9-7-5-3-4-6-8-10-17(20)18-15-11-16(19)13-21-12-15/h14-16,19H,3-13H2,1-2H3,(H,18,20).
What are the key properties of N-(5-hydroxyoxan-3-yl)-10-methylundecanamide?
N-(5-hydroxyoxan-3-yl)-10-methylundecanamide has a molecular weight of 299.45 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxyoxan-3-yl)-10-methylundecanamide is sourced from PubChem (CID 123146003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).