N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C17H30N2O3 — CID 136544528

IUPACN-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCOCC(C2CCC2)C1
InChIInChI=1S/C17H30N2O3/c1-12(18-16(21)17(2,3)4)15(20)19-8-9-22-11-14(10-19)13-6-5-7-13/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyVEJWGAWZACVZLF-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 136544528) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID136544528
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCOCC(C2CCC2)C1
InChIInChI=1S/C17H30N2O3/c1-12(18-16(21)17(2,3)4)15(20)19-8-9-22-11-14(10-19)13-6-5-7-13/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyVEJWGAWZACVZLF-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

4-(Cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985018
2-(4-tert-butylazepan-1-yl)-N-(oxan-4-yl)acetamide
CID 56791527
1-(Azepan-1-yl)-2-[2-(3-methylbutoxy)ethylamino]propan-1-one
CID 61882325
N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide
CID 86771399
2-[(4R)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide
CID 95628908
2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide
CID 95628909
(2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide
CID 99783495
(2R)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide
CID 99783496
1-(Azepan-1-yl)-2-[(1-ethoxy-3-methylbutan-2-yl)amino]propan-1-one
CID 103212897
1-(Azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one
CID 103742138
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 104376109
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N-(2-methoxyethyl)propanamide
CID 104391432

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 136544528) is N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)N1CCOCC(C2CCC2)C1.
What is the InChIKey of N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is VEJWGAWZACVZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-12(18-16(21)17(2,3)4)15(20)19-8-9-22-11-14(10-19)13-6-5-7-13/h12-14H,5-11H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136544528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).