2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide

C14H19ClN2O — CID 43635314

IUPAC2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O/c1-17(2)14(18)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16H,7-9H2,1-2H3
InChIKeyOCWUIMIHVIKSPK-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.26
Rot. Bonds4

About 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide

2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide (PubChem CID 43635314) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
PubChem CID43635314
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O/c1-17(2)14(18)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16H,7-9H2,1-2H3
InChIKeyOCWUIMIHVIKSPK-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]acetamide
CID 43635313
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
1-N-[3-(3-chlorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43634275
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831
4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid
CID 60782735
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide
CID 106704308
N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399
3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine
CID 79547861
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79756518
3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634506
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide (CID 43635314) is 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide?
The InChIKey is OCWUIMIHVIKSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17(2)14(18)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16H,7-9H2,1-2H3.
What are the key properties of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide?
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide has a molecular weight of 266.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 43635314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).