N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide

C24H33N3O — CID 146596160

IUPACN-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(CC(=O)NC2CNCC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O/c1-24(2,3)19-10-8-18(9-11-19)21-15-25-16-22(21)26-23(28)14-17-6-12-20(13-7-17)27(4)5/h6-13,21-22,25H,14-16H2,1-5H3,(H,26,28)
InChIKeyCMAVSVLCFSAASO-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide

N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide (PubChem CID 146596160) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
PubChem CID146596160
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(CC(=O)NC2CNCC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O/c1-24(2,3)19-10-8-18(9-11-19)21-15-25-16-22(21)26-23(28)14-17-6-12-20(13-7-17)27(4)5/h6-13,21-22,25H,14-16H2,1-5H3,(H,26,28)
InChIKeyCMAVSVLCFSAASO-UHFFFAOYSA-N
XLogP3.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine
CID 129407390
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014533
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine-3-carboxamide
CID 155526665
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3791295
2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
CID 176700295
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630142
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
CID 46839530

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide (CID 146596160) is N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(CC(=O)NC2CNCC2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is CMAVSVLCFSAASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-24(2,3)19-10-8-18(9-11-19)21-15-25-16-22(21)26-23(28)14-17-6-12-20(13-7-17)27(4)5/h6-13,21-22,25H,14-16H2,1-5H3,(H,26,28).
What are the key properties of N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide?
N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 379.55 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 146596160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).