(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone

C17H25NO — CID 159043850

IUPAC(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H25NO/c1-5-13-10-11-18(12-13)16(19)14-6-8-15(9-7-14)17(2,3)4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyJWKHPVJNOXIACV-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.86
Rot. Bonds2

About (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone

(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone (PubChem CID 159043850) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
PubChem CID159043850
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H25NO/c1-5-13-10-11-18(12-13)16(19)14-6-8-15(9-7-14)17(2,3)4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyJWKHPVJNOXIACV-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154
(4-tert-butylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 63393021
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
(4-tert-butylphenyl)-[(3S)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 95309072
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone
CID 119483396

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone (CID 159043850) is (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone is CCC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The InChIKey is JWKHPVJNOXIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-13-10-11-18(12-13)16(19)14-6-8-15(9-7-14)17(2,3)4/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone has a molecular weight of 259.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 159043850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).