2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide

C19H28N2O2 — CID 113170397

IUPAC2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-14(22)21(13-18(23)20-15-9-5-6-10-15)17-12-8-7-11-16(17)19(2,3)4/h7-8,11-12,15H,5-6,9-10,13H2,1-4H3,(H,20,23)
InChIKeyJUCHIGFDJKCDTJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.40
Rot. Bonds4

About 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide

2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide (PubChem CID 113170397) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
PubChem CID113170397
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-14(22)21(13-18(23)20-15-9-5-6-10-15)17-12-8-7-11-16(17)19(2,3)4/h7-8,11-12,15H,5-6,9-10,13H2,1-4H3,(H,20,23)
InChIKeyJUCHIGFDJKCDTJ-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 113179338
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
CID 113179362
2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
CID 113170515
2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113170522

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide (CID 113170397) is 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide is CC(=O)N(CC(=O)NC1CCCC1)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide?
The InChIKey is JUCHIGFDJKCDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(22)21(13-18(23)20-15-9-5-6-10-15)17-12-8-7-11-16(17)19(2,3)4/h7-8,11-12,15H,5-6,9-10,13H2,1-4H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide?
2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide has a molecular weight of 316.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide is sourced from PubChem (CID 113170397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).