N-pentadecan-4-ylacetamide

C17H35NO — CID 87419548

IUPACN-pentadecan-4-ylacetamide
SMILESCCCCCCCCCCCC(CCC)NC(C)=O
InChIInChI=1S/C17H35NO/c1-4-6-7-8-9-10-11-12-13-15-17(14-5-2)18-16(3)19/h17H,4-15H2,1-3H3,(H,18,19)
InChIKeyNCDOTKJOQIMFLS-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.21
Rot. Bonds13

About N-pentadecan-4-ylacetamide

N-pentadecan-4-ylacetamide (PubChem CID 87419548) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-pentadecan-4-ylacetamide.

Molecular Properties

Compound NameN-pentadecan-4-ylacetamide
PubChem CID87419548
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-pentadecan-4-ylacetamide
SMILESCCCCCCCCCCCC(CCC)NC(C)=O
InChIInChI=1S/C17H35NO/c1-4-6-7-8-9-10-11-12-13-15-17(14-5-2)18-16(3)19/h17H,4-15H2,1-3H3,(H,18,19)
InChIKeyNCDOTKJOQIMFLS-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-fluorooctan-3-yl)acetamide
CID 45120198
(3S)-3-acetamidononanoic acid
CID 2195186
tetracosan-7-ylcarbamic acid
CID 174971308
N-[(2S)-1-hydroxypentan-2-yl]acetamide
CID 10464451
2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
CID 175297760
2-acetamidotetracosanoic acid
CID 13224380
N-(1-methylsulfanylhexan-2-yl)acetamide
CID 20559067
N-(1,3,3,4-tetrachloropentadec-1-yn-8-yl)acetamide
CID 20847803
N-tridecan-5-ylprop-2-enamide
CID 141277245
N-octan-4-ylpentanamide
CID 91803774
methyl 2-acetamidooctanoate
CID 6429509
N-methylundecan-4-amine
CID 60996531

Frequently Asked Questions

What is the IUPAC name of N-pentadecan-4-ylacetamide?
The IUPAC name of N-pentadecan-4-ylacetamide (CID 87419548) is N-pentadecan-4-ylacetamide.
What is the SMILES notation for N-pentadecan-4-ylacetamide?
The canonical SMILES for N-pentadecan-4-ylacetamide is CCCCCCCCCCCC(CCC)NC(C)=O.
What is the InChIKey of N-pentadecan-4-ylacetamide?
The InChIKey is NCDOTKJOQIMFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-7-8-9-10-11-12-13-15-17(14-5-2)18-16(3)19/h17H,4-15H2,1-3H3,(H,18,19).
What are the key properties of N-pentadecan-4-ylacetamide?
N-pentadecan-4-ylacetamide has a molecular weight of 269.47 g/mol, XLogP of 5.21, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentadecan-4-ylacetamide is sourced from PubChem (CID 87419548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).