N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide

C22H26N4O3 — CID 113177065

IUPACN-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N4O3/c1-16(27)23-18-5-7-19(8-6-18)24-22(29)15-26(17(2)28)21-11-9-20(10-12-21)25-13-3-4-14-25/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyCIABOFIYCOJJAC-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.24
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide

N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 113177065) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
PubChem CID113177065
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N4O3/c1-16(27)23-18-5-7-19(8-6-18)24-22(29)15-26(17(2)28)21-11-9-20(10-12-21)25-13-3-4-14-25/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyCIABOFIYCOJJAC-UHFFFAOYSA-N
XLogP3.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
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-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113177074
2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113170522
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113177050

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide (CID 113177065) is N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide is CC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is CIABOFIYCOJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(27)23-18-5-7-19(8-6-18)24-22(29)15-26(17(2)28)21-11-9-20(10-12-21)25-13-3-4-14-25/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide?
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 113177065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).