2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide

C14H20N2O2 — CID 43635290

IUPAC2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H20N2O2/c1-15-14(17)9-16-12-7-11(8-12)10-3-5-13(18-2)6-4-10/h3-6,11-12,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyMLWNTIGAUXRZKM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds5

About 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide

2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide (PubChem CID 43635290) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
PubChem CID43635290
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H20N2O2/c1-15-14(17)9-16-12-7-11(8-12)10-3-5-13(18-2)6-4-10/h3-6,11-12,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyMLWNTIGAUXRZKM-UHFFFAOYSA-N
XLogP1.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
CID 106172901
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide
CID 43635693
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
N-tert-butyl-2-[(3-phenylcyclobutyl)amino]acetamide
CID 115356209
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide (CID 43635290) is 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide is CNC(=O)CNC1CC(c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide?
The InChIKey is MLWNTIGAUXRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-14(17)9-16-12-7-11(8-12)10-3-5-13(18-2)6-4-10/h3-6,11-12,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide?
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide is sourced from PubChem (CID 43635290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).