N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide

C16H27NO — CID 70997471

IUPACN-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CC1C1CC=CCC1)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-12(18)17(16(2,3)4)11-14-10-15(14)13-8-6-5-7-9-13/h5-6,13-15H,7-11H2,1-4H3/t13?,14-,15?/m1/s1
InChIKeyZCWRDJLGDLHGRN-SHARSMKWSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds3

About N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide

N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide (PubChem CID 70997471) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide
PubChem CID70997471
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CC1C1CC=CCC1)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-12(18)17(16(2,3)4)11-14-10-15(14)13-8-6-5-7-9-13/h5-6,13-15H,7-11H2,1-4H3/t13?,14-,15?/m1/s1
InChIKeyZCWRDJLGDLHGRN-SHARSMKWSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide?
The IUPAC name of N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide (CID 70997471) is N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide is CC(=O)N(C[C@H]1CC1C1CC=CCC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide?
The InChIKey is ZCWRDJLGDLHGRN-SHARSMKWSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(18)17(16(2,3)4)11-14-10-15(14)13-8-6-5-7-9-13/h5-6,13-15H,7-11H2,1-4H3/t13?,14-,15?/m1/s1.
What are the key properties of N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide?
N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide has a molecular weight of 249.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]acetamide is sourced from PubChem (CID 70997471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).