1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide

C15H26N2O2 — CID 80599578

IUPAC1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C15H26N2O2/c1-5-13(6-2)17(7-8-19-4)14(18)15(11-16)9-12(3)10-15/h12-13H,5-10H2,1-4H3
InChIKeyWAAZWCJVNGJAQJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.59
Rot. Bonds7

About 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide

1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide (PubChem CID 80599578) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide
PubChem CID80599578
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C15H26N2O2/c1-5-13(6-2)17(7-8-19-4)14(18)15(11-16)9-12(3)10-15/h12-13H,5-10H2,1-4H3
InChIKeyWAAZWCJVNGJAQJ-UHFFFAOYSA-N
XLogP2.59
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80597899
1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467755
N-(2-methoxyethyl)-4-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 114423422
1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 80501552
N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80502268
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 80599346
1-cyano-N-ethyl-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide
CID 80599125
1-[2-methoxyethyl(pentan-3-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377381
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 78994668
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride
CID 119729632
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
N-(2-methoxyethyl)-2-[1-(methylamino)cyclohexyl]-N-pentan-3-ylacetamide
CID 65242111

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide (CID 80599578) is 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide is CCC(CC)N(CCOC)C(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide?
The InChIKey is WAAZWCJVNGJAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-13(6-2)17(7-8-19-4)14(18)15(11-16)9-12(3)10-15/h12-13H,5-10H2,1-4H3.
What are the key properties of 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide?
1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 80599578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).