2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide

C22H27N3O2 — CID 113177031

IUPAC2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-3-24(20-9-5-4-6-10-20)22(27)17-25(18(2)26)21-13-11-19(12-14-21)23-15-7-8-16-23/h4-6,9-14H,3,7-8,15-17H2,1-2H3
InChIKeyRBMKEAWZIAYKIK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.69
Rot. Bonds6

About 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide

2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide (PubChem CID 113177031) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
PubChem CID113177031
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-3-24(20-9-5-4-6-10-20)22(27)17-25(18(2)26)21-13-11-19(12-14-21)23-15-7-8-16-23/h4-6,9-14H,3,7-8,15-17H2,1-2H3
InChIKeyRBMKEAWZIAYKIK-UHFFFAOYSA-N
XLogP3.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
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-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
CID 113177424
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972
1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
CID 108991537
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113177011
2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113177110

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide (CID 113177031) is 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(C(C)=O)c1ccc(N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is RBMKEAWZIAYKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-24(20-9-5-4-6-10-20)22(27)17-25(18(2)26)21-13-11-19(12-14-21)23-15-7-8-16-23/h4-6,9-14H,3,7-8,15-17H2,1-2H3.
What are the key properties of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide?
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113177031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).