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

C21H32N2O2 — CID 113170454

IUPAC2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C21H32N2O2/c1-16(24)23(19-14-10-9-13-18(19)21(2,3)4)15-20(25)22-17-11-7-5-6-8-12-17/h9-10,13-14,17H,5-8,11-12,15H2,1-4H3,(H,22,25)
InChIKeyVOLCYZAFSBBKKD-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.18
Rot. Bonds4

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

2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide (PubChem CID 113170454) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
PubChem CID113170454
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C21H32N2O2/c1-16(24)23(19-14-10-9-13-18(19)21(2,3)4)15-20(25)22-17-11-7-5-6-8-12-17/h9-10,13-14,17H,5-8,11-12,15H2,1-4H3,(H,22,25)
InChIKeyVOLCYZAFSBBKKD-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
CID 113170397
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
CID 113179362
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 113179338
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443
2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
CID 113170515

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide (CID 113170454) is 2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide is CC(=O)N(CC(=O)NC1CCCCCC1)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide?
The InChIKey is VOLCYZAFSBBKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(24)23(19-14-10-9-13-18(19)21(2,3)4)15-20(25)22-17-11-7-5-6-8-12-17/h9-10,13-14,17H,5-8,11-12,15H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide?
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide has a molecular weight of 344.50 g/mol, XLogP of 4.18, 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-cycloheptylacetamide is sourced from PubChem (CID 113170454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).