N-(4-acetylphenyl)-5-aminohexanamide

C14H20N2O2 — CID 82852023

IUPACN-(4-acetylphenyl)-5-aminohexanamide
SMILESCC(=O)c1ccc(NC(=O)CCCC(C)N)cc1
InChIInChI=1S/C14H20N2O2/c1-10(15)4-3-5-14(18)16-13-8-6-12(7-9-13)11(2)17/h6-10H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyOOMLIKJQTQNGJJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.35
Rot. Bonds6

About N-(4-acetylphenyl)-5-aminohexanamide

N-(4-acetylphenyl)-5-aminohexanamide (PubChem CID 82852023) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-aminohexanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-aminohexanamide
PubChem CID82852023
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-acetylphenyl)-5-aminohexanamide
SMILESCC(=O)c1ccc(NC(=O)CCCC(C)N)cc1
InChIInChI=1S/C14H20N2O2/c1-10(15)4-3-5-14(18)16-13-8-6-12(7-9-13)11(2)17/h6-10H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyOOMLIKJQTQNGJJ-UHFFFAOYSA-N
XLogP2.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
CID 82850765
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-aminohexanamide?
The IUPAC name of N-(4-acetylphenyl)-5-aminohexanamide (CID 82852023) is N-(4-acetylphenyl)-5-aminohexanamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-aminohexanamide?
The canonical SMILES for N-(4-acetylphenyl)-5-aminohexanamide is CC(=O)c1ccc(NC(=O)CCCC(C)N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-aminohexanamide?
The InChIKey is OOMLIKJQTQNGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(15)4-3-5-14(18)16-13-8-6-12(7-9-13)11(2)17/h6-10H,3-5,15H2,1-2H3,(H,16,18).
What are the key properties of N-(4-acetylphenyl)-5-aminohexanamide?
N-(4-acetylphenyl)-5-aminohexanamide has a molecular weight of 248.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-aminohexanamide is sourced from PubChem (CID 82852023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).