2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C24H31N3O2 — CID 113170522

IUPAC2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C24H31N3O2/c1-18(28)27(22-10-6-5-9-21(22)24(2,3)4)17-23(29)25-19-11-13-20(14-12-19)26-15-7-8-16-26/h5-6,9-14H,7-8,15-17H2,1-4H3,(H,25,29)
InChIKeyUFMGSBMPBOUOBF-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.58
Rot. Bonds5

About 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113170522) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113170522
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C24H31N3O2/c1-18(28)27(22-10-6-5-9-21(22)24(2,3)4)17-23(29)25-19-11-13-20(14-12-19)26-15-7-8-16-26/h5-6,9-14H,7-8,15-17H2,1-4H3,(H,25,29)
InChIKeyUFMGSBMPBOUOBF-UHFFFAOYSA-N
XLogP4.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
CID 113170515
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113167414
N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170396
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113126454
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113170522) is 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is UFMGSBMPBOUOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(28)27(22-10-6-5-9-21(22)24(2,3)4)17-23(29)25-19-11-13-20(14-12-19)26-15-7-8-16-26/h5-6,9-14H,7-8,15-17H2,1-4H3,(H,25,29).
What are the key properties of 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113170522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).