N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide

C16H30N2O2 — CID 113056688

IUPACN-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)(C)C)C1CCCCCC1
InChIInChI=1S/C16H30N2O2/c1-13(19)18(14-9-7-5-6-8-10-14)12-11-17-15(20)16(2,3)4/h14H,5-12H2,1-4H3,(H,17,20)
InChIKeyJQGMGMXRENQNJV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds4

About N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 113056688) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID113056688
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)(C)C)C1CCCCCC1
InChIInChI=1S/C16H30N2O2/c1-13(19)18(14-9-7-5-6-8-10-14)12-11-17-15(20)16(2,3)4/h14H,5-12H2,1-4H3,(H,17,20)
InChIKeyJQGMGMXRENQNJV-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
N-[2-[acetyl(cyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113052903
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772
tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052169
N-[2-[acetyl(cyclopentyl)amino]ethyl]pentanamide
CID 113052774
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052167
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
N-cyclohexyl-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113052978
N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113056755

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide (CID 113056688) is N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide is CC(=O)N(CCNC(=O)C(C)(C)C)C1CCCCCC1.
What is the InChIKey of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is JQGMGMXRENQNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(19)18(14-9-7-5-6-8-10-14)12-11-17-15(20)16(2,3)4/h14H,5-12H2,1-4H3,(H,17,20).
What are the key properties of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 282.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113056688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).