2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide

C23H28N2O3 — CID 113179225

IUPAC2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H28N2O3/c1-18(26)25(17-23(27)24-19-11-5-2-3-6-12-19)21-15-9-10-16-22(21)28-20-13-7-4-8-14-20/h4,7-10,13-16,19H,2-3,5-6,11-12,17H2,1H3,(H,24,27)
InChIKeyZUYHPMZBAUHAEO-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.67
Rot. Bonds6

About 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide

2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide (PubChem CID 113179225) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
PubChem CID113179225
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H28N2O3/c1-18(26)25(17-23(27)24-19-11-5-2-3-6-12-19)21-15-9-10-16-22(21)28-20-13-7-4-8-14-20/h4,7-10,13-16,19H,2-3,5-6,11-12,17H2,1H3,(H,24,27)
InChIKeyZUYHPMZBAUHAEO-UHFFFAOYSA-N
XLogP4.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
CID 113179224
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
CID 113170397
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
2-(N-acetyl-4-phenylmethoxyanilino)-N-cyclohexylacetamide
CID 113177523
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113179217
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide (CID 113179225) is 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide is CC(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide?
The InChIKey is ZUYHPMZBAUHAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-18(26)25(17-23(27)24-19-11-5-2-3-6-12-19)21-15-9-10-16-22(21)28-20-13-7-4-8-14-20/h4,7-10,13-16,19H,2-3,5-6,11-12,17H2,1H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide?
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide has a molecular weight of 380.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 113179225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).