2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide

C15H21ClN2O — CID 106344516

IUPAC2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC1CC(c2cccc(Cl)c2)C1)C(N)=O
InChIInChI=1S/C15H21ClN2O/c1-9(2)14(15(17)19)18-13-7-11(8-13)10-4-3-5-12(16)6-10/h3-6,9,11,13-14,18H,7-8H2,1-2H3,(H2,17,19)
InChIKeyIKBWRKQAUGWBGG-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.69
Rot. Bonds5

About 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide

2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide (PubChem CID 106344516) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
PubChem CID106344516
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC1CC(c2cccc(Cl)c2)C1)C(N)=O
InChIInChI=1S/C15H21ClN2O/c1-9(2)14(15(17)19)18-13-7-11(8-13)10-4-3-5-12(16)6-10/h3-6,9,11,13-14,18H,7-8H2,1-2H3,(H2,17,19)
InChIKeyIKBWRKQAUGWBGG-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81402505
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749174

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide (CID 106344516) is 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide is CC(C)C(NC1CC(c2cccc(Cl)c2)C1)C(N)=O.
What is the InChIKey of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide?
The InChIKey is IKBWRKQAUGWBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-9(2)14(15(17)19)18-13-7-11(8-13)10-4-3-5-12(16)6-10/h3-6,9,11,13-14,18H,7-8H2,1-2H3,(H2,17,19).
What are the key properties of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide?
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide has a molecular weight of 280.80 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106344516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).