2-(4-aminophenyl)-N-heptylacetamide

C15H24N2O — CID 54795787

IUPAC2-(4-aminophenyl)-N-heptylacetamide
SMILESCCCCCCCNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-6-11-17-15(18)12-13-7-9-14(16)10-8-13/h7-10H,2-6,11-12,16H2,1H3,(H,17,18)
InChIKeyUKKSJAZMAWSEJV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds8

About 2-(4-aminophenyl)-N-heptylacetamide

2-(4-aminophenyl)-N-heptylacetamide (PubChem CID 54795787) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-heptylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-heptylacetamide
PubChem CID54795787
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-aminophenyl)-N-heptylacetamide
SMILESCCCCCCCNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-6-11-17-15(18)12-13-7-9-14(16)10-8-13/h7-10H,2-6,11-12,16H2,1H3,(H,17,18)
InChIKeyUKKSJAZMAWSEJV-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
methyl 7-[[2-(4-aminophenyl)acetyl]amino]heptanoate;hydrochloride
CID 119701299
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
2-(5-amino-2-pyridinyl)-N-octylacetamide
CID 107339440
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
methyl 4-[[2-(4-aminophenyl)acetyl]amino]butanoate
CID 61274710
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-heptylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-heptylacetamide (CID 54795787) is 2-(4-aminophenyl)-N-heptylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-heptylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-heptylacetamide is CCCCCCCNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-heptylacetamide?
The InChIKey is UKKSJAZMAWSEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-4-5-6-11-17-15(18)12-13-7-9-14(16)10-8-13/h7-10H,2-6,11-12,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-aminophenyl)-N-heptylacetamide?
2-(4-aminophenyl)-N-heptylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-heptylacetamide is sourced from PubChem (CID 54795787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).