2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C22H27N3O2 — CID 113168582

IUPAC2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C22H27N3O2/c1-16-12-17(2)14-21(13-16)25(18(3)26)15-22(27)23-19-6-8-20(9-7-19)24-10-4-5-11-24/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,23,27)
InChIKeyMQNVPHAHTFVYPM-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.90
Rot. Bonds5

About 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113168582) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113168582
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C22H27N3O2/c1-16-12-17(2)14-21(13-16)25(18(3)26)15-22(27)23-19-6-8-20(9-7-19)24-10-4-5-11-24/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,23,27)
InChIKeyMQNVPHAHTFVYPM-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.90
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

N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52690468
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113177050
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113168582) is 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is MQNVPHAHTFVYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-12-17(2)14-21(13-16)25(18(3)26)15-22(27)23-19-6-8-20(9-7-19)24-10-4-5-11-24/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,23,27).
What are the key properties of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113168582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).