5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide

C17H27N3O — CID 82013453

IUPAC5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C17H27N3O/c1-13(12-18)5-8-17(21)19-16-7-6-15(11-14(16)2)20-9-3-4-10-20/h6-7,11,13H,3-5,8-10,12,18H2,1-2H3,(H,19,21)
InChIKeyQMRRLKJKMRWVLP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.91
Rot. Bonds6

About 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide

5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 82013453) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID82013453
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C17H27N3O/c1-13(12-18)5-8-17(21)19-16-7-6-15(11-14(16)2)20-9-3-4-10-20/h6-7,11,13H,3-5,8-10,12,18H2,1-2H3,(H,19,21)
InChIKeyQMRRLKJKMRWVLP-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.91
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

4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18088219
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide (CID 82013453) is 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide is Cc1cc(N2CCCC2)ccc1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is QMRRLKJKMRWVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(12-18)5-8-17(21)19-16-7-6-15(11-14(16)2)20-9-3-4-10-20/h6-7,11,13H,3-5,8-10,12,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide?
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 289.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 82013453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).