4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide

C17H26N2O — CID 121450358

IUPAC4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-8-6-13(7-9-14)16(20)19(5)15-10-11-18(4)12-15/h6-9,15H,10-12H2,1-5H3
InChIKeyKZLBWGFBGRVTQE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.76
Rot. Bonds2

About 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide

4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 121450358) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID121450358
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-8-6-13(7-9-14)16(20)19(5)15-10-11-18(4)12-15/h6-9,15H,10-12H2,1-5H3
InChIKeyKZLBWGFBGRVTQE-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide
CID 122558217
3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 103955316
4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 126434542
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 123781612
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43333302
2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116084
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
N-methyl-N-(1-methylpiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62540530
4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 146086120
N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10027282
4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide (CID 121450358) is 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide is CN1CCC(N(C)C(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is KZLBWGFBGRVTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)14-8-6-13(7-9-14)16(20)19(5)15-10-11-18(4)12-15/h6-9,15H,10-12H2,1-5H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 274.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 121450358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).