2-(N,3-diacetylanilino)-N-pentylacetamide

C17H24N2O3 — CID 113175445

IUPAC2-(N,3-diacetylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C17H24N2O3/c1-4-5-6-10-18-17(22)12-19(14(3)21)16-9-7-8-15(11-16)13(2)20/h7-9,11H,4-6,10,12H2,1-3H3,(H,18,22)
InChIKeyRMDQLZJHHVKBBF-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.55
Rot. Bonds8

About 2-(N,3-diacetylanilino)-N-pentylacetamide

2-(N,3-diacetylanilino)-N-pentylacetamide (PubChem CID 113175445) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(N,3-diacetylanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(N,3-diacetylanilino)-N-pentylacetamide
PubChem CID113175445
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(N,3-diacetylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C17H24N2O3/c1-4-5-6-10-18-17(22)12-19(14(3)21)16-9-7-8-15(11-16)13(2)20/h7-9,11H,4-6,10,12H2,1-3H3,(H,18,22)
InChIKeyRMDQLZJHHVKBBF-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175462
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
CID 113179147
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
CID 113172064
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964

Frequently Asked Questions

What is the IUPAC name of 2-(N,3-diacetylanilino)-N-pentylacetamide?
The IUPAC name of 2-(N,3-diacetylanilino)-N-pentylacetamide (CID 113175445) is 2-(N,3-diacetylanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(N,3-diacetylanilino)-N-pentylacetamide?
The canonical SMILES for 2-(N,3-diacetylanilino)-N-pentylacetamide is CCCCCNC(=O)CN(C(C)=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 2-(N,3-diacetylanilino)-N-pentylacetamide?
The InChIKey is RMDQLZJHHVKBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-5-6-10-18-17(22)12-19(14(3)21)16-9-7-8-15(11-16)13(2)20/h7-9,11H,4-6,10,12H2,1-3H3,(H,18,22).
What are the key properties of 2-(N,3-diacetylanilino)-N-pentylacetamide?
2-(N,3-diacetylanilino)-N-pentylacetamide has a molecular weight of 304.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3-diacetylanilino)-N-pentylacetamide is sourced from PubChem (CID 113175445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).