3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide

C18H28N2O — CID 119510990

IUPAC3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(21)20-13-16-5-4-12-19-16/h6-7,9-10,16,19H,4-5,8,11-13H2,1-3H3,(H,20,21)
InChIKeyOWTSQBGMJMTAGT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.78
Rot. Bonds5

About 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide

3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119510990) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119510990
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(21)20-13-16-5-4-12-19-16/h6-7,9-10,16,19H,4-5,8,11-13H2,1-3H3,(H,20,21)
InChIKeyOWTSQBGMJMTAGT-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511111
2-(4-tert-butylphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511892
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119510990) is 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide is CC(C)(C)c1ccc(CCC(=O)NCC2CCCN2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is OWTSQBGMJMTAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(21)20-13-16-5-4-12-19-16/h6-7,9-10,16,19H,4-5,8,11-13H2,1-3H3,(H,20,21).
What are the key properties of 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119510990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).