N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

C17H26N2O — CID 110858473

IUPACN-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCN1CCCC1CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)13-7-9-14(10-8-13)18-16(20)12-15-6-5-11-19(15)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeyXIVALTNWUYGUHK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.41
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (PubChem CID 110858473) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
PubChem CID110858473
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCN1CCCC1CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)13-7-9-14(10-8-13)18-16(20)12-15-6-5-11-19(15)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeyXIVALTNWUYGUHK-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-(4-acetylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110861173
N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857805
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide
CID 23452543
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
N-(3-acetylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110861048

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (CID 110858473) is N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is CN1CCCC1CC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The InChIKey is XIVALTNWUYGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)13-7-9-14(10-8-13)18-16(20)12-15-6-5-11-19(15)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,18,20).
What are the key properties of N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 110858473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).