N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide

C17H25N3O2 — CID 113062300

IUPACN-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
SMILESCCC(=O)NCCN(C(C)=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-17(22)18-10-13-20(14(2)21)16-8-6-15(7-9-16)19-11-4-5-12-19/h6-9H,3-5,10-13H2,1-2H3,(H,18,22)
InChIKeyBUABWBVWEIHNCT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.17
Rot. Bonds6

About N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide

N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide (PubChem CID 113062300) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
PubChem CID113062300
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
SMILESCCC(=O)NCCN(C(C)=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-17(22)18-10-13-20(14(2)21)16-8-6-15(7-9-16)19-11-4-5-12-19/h6-9H,3-5,10-13H2,1-2H3,(H,18,22)
InChIKeyBUABWBVWEIHNCT-UHFFFAOYSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.17
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-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113062385
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062329
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062524
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418
N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113062527
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
CID 113132055
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-butylpropanamide
CID 113132222
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide
CID 113062380
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113177382

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide?
The IUPAC name of N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide (CID 113062300) is N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide.
What is the SMILES notation for N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide?
The canonical SMILES for N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide is CCC(=O)NCCN(C(C)=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide?
The InChIKey is BUABWBVWEIHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-17(22)18-10-13-20(14(2)21)16-8-6-15(7-9-16)19-11-4-5-12-19/h6-9H,3-5,10-13H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide?
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide is sourced from PubChem (CID 113062300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).