N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide

C20H32N2O — CID 67774408

IUPACN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(C)[C@H](CN2CCCC2)C(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-15(2)17-8-10-18(11-9-17)20(23)21(5)19(16(3)4)14-22-12-6-7-13-22/h8-11,15-16,19H,6-7,12-14H2,1-5H3/t19-/m1/s1
InChIKeyZKOSYIFEWAUPFE-LJQANCHMSA-N
MW316.49 g/mol
LogP4.00
Rot. Bonds6

About N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide

N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide (PubChem CID 67774408) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
PubChem CID67774408
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(C)[C@H](CN2CCCC2)C(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-15(2)17-8-10-18(11-9-17)20(23)21(5)19(16(3)4)14-22-12-6-7-13-22/h8-11,15-16,19H,6-7,12-14H2,1-5H3/t19-/m1/s1
InChIKeyZKOSYIFEWAUPFE-LJQANCHMSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773337
N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 67774195
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-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67773038
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide
CID 67773096
4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67772988
2,2-dihydroxybutanedioic acid;4-fluoro-N,3-dimethyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67774412
N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
CID 67812706
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
4-cyano-N-[(2S)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-methylbutan-2-yl]-N-methylbenzamide
CID 140609289

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide (CID 67774408) is N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)N(C)[C@H](CN2CCCC2)C(C)C)cc1.
What is the InChIKey of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide?
The InChIKey is ZKOSYIFEWAUPFE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H32N2O/c1-15(2)17-8-10-18(11-9-17)20(23)21(5)19(16(3)4)14-22-12-6-7-13-22/h8-11,15-16,19H,6-7,12-14H2,1-5H3/t19-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide?
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide has a molecular weight of 316.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 67774408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).