3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide

C16H23N3O2 — CID 81171958

IUPAC3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CC2(CN)CCC2)c1
InChIInChI=1S/C16H23N3O2/c1-19(2)15(21)12-5-3-6-13(9-12)18-14(20)10-16(11-17)7-4-8-16/h3,5-6,9H,4,7-8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyDSOFRXCIHPNEPW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.85
Rot. Bonds5

About 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 81171958) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID81171958
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CC2(CN)CCC2)c1
InChIInChI=1S/C16H23N3O2/c1-19(2)15(21)12-5-3-6-13(9-12)18-14(20)10-16(11-17)7-4-8-16/h3,5-6,9H,4,7-8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyDSOFRXCIHPNEPW-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 81179866
3-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]thiolane-3-carboxylic acid
CID 49247310
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868
N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643
ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate
CID 56806860
1-[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549335
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 104677669
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide (CID 81171958) is 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CC2(CN)CCC2)c1.
What is the InChIKey of 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is DSOFRXCIHPNEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(2)15(21)12-5-3-6-13(9-12)18-14(20)10-16(11-17)7-4-8-16/h3,5-6,9H,4,7-8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 81171958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).