N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen

C20H37NO2 — CID 170791141

IUPACN-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
SMILESCC.CC.CCCCCCCC(=O)Nc1cccc(C(C)=O)c1.[H][H]
InChIInChI=1S/C16H23NO2.2C2H6.H2/c1-3-4-5-6-7-11-16(19)17-15-10-8-9-14(12-15)13(2)18;2*1-2;/h8-10,12H,3-7,11H2,1-2H3,(H,17,19);2*1-2H3;1H
InChIKeyNYRKTDZIVSMKCZ-UHFFFAOYSA-N
MW323.52 g/mol
LogP6.49
Rot. Bonds8

About N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen

N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen (PubChem CID 170791141) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
PubChem CID170791141
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC NameN-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
SMILESCC.CC.CCCCCCCC(=O)Nc1cccc(C(C)=O)c1.[H][H]
InChIInChI=1S/C16H23NO2.2C2H6.H2/c1-3-4-5-6-7-11-16(19)17-15-10-8-9-14(12-15)13(2)18;2*1-2;/h8-10,12H,3-7,11H2,1-2H3,(H,17,19);2*1-2H3;1H
InChIKeyNYRKTDZIVSMKCZ-UHFFFAOYSA-N
XLogP6.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 56.49
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

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methyl 3-(decanoylamino)benzoate
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CID 109032280
N-(3-bromophenyl)heptanamide
CID 4596383
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
4-[3-[(Z)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-4-oxobutanoic acid
CID 6261061
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-ethylphenyl)decanamide
CID 4053743
methyl 2-[[3-(octanoylamino)benzoyl]amino]acetate
CID 60513877

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen?
The IUPAC name of N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen (CID 170791141) is N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen.
What is the SMILES notation for N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen?
The canonical SMILES for N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen is CC.CC.CCCCCCCC(=O)Nc1cccc(C(C)=O)c1.[H][H].
What is the InChIKey of N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen?
The InChIKey is NYRKTDZIVSMKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.2C2H6.H2/c1-3-4-5-6-7-11-16(19)17-15-10-8-9-14(12-15)13(2)18;2*1-2;/h8-10,12H,3-7,11H2,1-2H3,(H,17,19);2*1-2H3;1H.
What are the key properties of N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen?
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen has a molecular weight of 323.52 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen is sourced from PubChem (CID 170791141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).