4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide

C14H28N2O2 — CID 120563945

IUPAC4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide
SMILESCOC1(C)CC(N(C)C(=O)CCC(C)N)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-10(15)7-8-12(17)16(5)11-9-14(4,18-6)13(11,2)3/h10-11H,7-9,15H2,1-6H3
InChIKeyLLZCQZYQGYGSRX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide

4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide (PubChem CID 120563945) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide
PubChem CID120563945
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide
SMILESCOC1(C)CC(N(C)C(=O)CCC(C)N)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-10(15)7-8-12(17)16(5)11-9-14(4,18-6)13(11,2)3/h10-11H,7-9,15H2,1-6H3
InChIKeyLLZCQZYQGYGSRX-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119342989
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide
CID 122144559
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119817564
3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid
CID 119151975
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940408
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride
CID 120563393
3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 166225120
5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687382
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 71868282
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95934487
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119799255
2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-methylpentanamide;hydrochloride
CID 119817970

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide?
The IUPAC name of 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide (CID 120563945) is 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide.
What is the SMILES notation for 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide?
The canonical SMILES for 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide is COC1(C)CC(N(C)C(=O)CCC(C)N)C1(C)C.
What is the InChIKey of 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide?
The InChIKey is LLZCQZYQGYGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(15)7-8-12(17)16(5)11-9-14(4,18-6)13(11,2)3/h10-11H,7-9,15H2,1-6H3.
What are the key properties of 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide?
4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide has a molecular weight of 256.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide is sourced from PubChem (CID 120563945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).