2-butoxy-N-pentyldecanamide

C19H39NO2 — CID 54280474

IUPAC2-butoxy-N-pentyldecanamide
SMILESCCCCCCCCC(OCCCC)C(=O)NCCCCC
InChIInChI=1S/C19H39NO2/c1-4-7-10-11-12-13-15-18(22-17-9-6-3)19(21)20-16-14-8-5-2/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyRQLFMSQVIZXJKV-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.23
Rot. Bonds16

About 2-butoxy-N-pentyldecanamide

2-butoxy-N-pentyldecanamide (PubChem CID 54280474) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 2-butoxy-N-pentyldecanamide.

Molecular Properties

Compound Name2-butoxy-N-pentyldecanamide
PubChem CID54280474
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name2-butoxy-N-pentyldecanamide
SMILESCCCCCCCCC(OCCCC)C(=O)NCCCCC
InChIInChI=1S/C19H39NO2/c1-4-7-10-11-12-13-15-18(22-17-9-6-3)19(21)20-16-14-8-5-2/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyRQLFMSQVIZXJKV-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.23
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

2-decoxydecanoic acid
CID 152638766
2-butoxy-N-phenyldodecanamide
CID 70626065
N-octadecyl-2-octylicosanamide
CID 154636535
2-methyl-N-nonyldecanamide
CID 141429494
alumane;butyl 2-butoxyoctadecaneperoxoate
CID 173023503
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
tetrakis(2-butoxy-16-methylheptadecanoate);zirconium(4+)
CID 160561053
3,5-bis[[1-(hexylamino)-1-oxohexan-2-yl]oxy]benzoic acid
CID 123509998
2-amino-N-hexylhexanamide
CID 60852762
2-ethyl-N-undecylpentanamide
CID 160695439

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-pentyldecanamide?
The IUPAC name of 2-butoxy-N-pentyldecanamide (CID 54280474) is 2-butoxy-N-pentyldecanamide.
What is the SMILES notation for 2-butoxy-N-pentyldecanamide?
The canonical SMILES for 2-butoxy-N-pentyldecanamide is CCCCCCCCC(OCCCC)C(=O)NCCCCC.
What is the InChIKey of 2-butoxy-N-pentyldecanamide?
The InChIKey is RQLFMSQVIZXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-4-7-10-11-12-13-15-18(22-17-9-6-3)19(21)20-16-14-8-5-2/h18H,4-17H2,1-3H3,(H,20,21).
What are the key properties of 2-butoxy-N-pentyldecanamide?
2-butoxy-N-pentyldecanamide has a molecular weight of 313.53 g/mol, XLogP of 5.23, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-pentyldecanamide is sourced from PubChem (CID 54280474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).