N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide

C17H26N2O — CID 67773038

IUPACN-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)[C@H](CN2CCC2)C(C)C)c1
InChIInChI=1S/C17H26N2O/c1-13(2)16(12-19-9-6-10-19)18(4)17(20)15-8-5-7-14(3)11-15/h5,7-8,11,13,16H,6,9-10,12H2,1-4H3/t16-/m1/s1
InChIKeyUUSSSQWCECXCJK-MRXNPFEDSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds5

About N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide

N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide (PubChem CID 67773038) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
PubChem CID67773038
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)[C@H](CN2CCC2)C(C)C)c1
InChIInChI=1S/C17H26N2O/c1-13(2)16(12-19-9-6-10-19)18(4)17(20)15-8-5-7-14(3)11-15/h5,7-8,11,13,16H,6,9-10,12H2,1-4H3/t16-/m1/s1
InChIKeyUUSSSQWCECXCJK-MRXNPFEDSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-bromo-N-methylbenzamide;N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-bromo-N-methylbenzamide;2,3-dihydroxybutanedioic acid
CID 173339527
N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 67774195
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
2,2-dihydroxybutanedioic acid;4-fluoro-N,3-dimethyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67774412
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773094
N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
CID 67812706
4-fluoro-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67772635

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide?
The IUPAC name of N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide (CID 67773038) is N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)[C@H](CN2CCC2)C(C)C)c1.
What is the InChIKey of N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide?
The InChIKey is UUSSSQWCECXCJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)16(12-19-9-6-10-19)18(4)17(20)15-8-5-7-14(3)11-15/h5,7-8,11,13,16H,6,9-10,12H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide?
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide is sourced from PubChem (CID 67773038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).