N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

C17H27N3O — CID 60674409

IUPACN-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESCC(C)CCNC(=O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14(2)9-10-18-17(21)13-19-15-5-7-16(8-6-15)20-11-3-4-12-20/h5-8,14,19H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeySXAWVPITJPTYSO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.86
Rot. Bonds7

About N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 60674409) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID60674409
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESCC(C)CCNC(=O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14(2)9-10-18-17(21)13-19-15-5-7-16(8-6-15)20-11-3-4-12-20/h5-8,14,19H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeySXAWVPITJPTYSO-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
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-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
N-(3-methylbutyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110756
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 109000353
N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 37222450

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (CID 60674409) is N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is CC(C)CCNC(=O)CNc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is SXAWVPITJPTYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)9-10-18-17(21)13-19-15-5-7-16(8-6-15)20-11-3-4-12-20/h5-8,14,19H,3-4,9-13H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 60674409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).