2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C15H23N3O — CID 62847063

IUPAC2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-15(2,16-3)14(19)17-12-6-8-13(9-7-12)18-10-4-5-11-18/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyKVKLBNGQLNHMFG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds4

About 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 62847063) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID62847063
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-15(2,16-3)14(19)17-12-6-8-13(9-7-12)18-10-4-5-11-18/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyKVKLBNGQLNHMFG-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
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

2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
2-methyl-2-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 62845824
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
CID 63180115
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
2,2-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]propanamide
CID 17099800
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide
CID 103731896
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110355
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 62847063) is 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is CNC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is KVKLBNGQLNHMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,16-3)14(19)17-12-6-8-13(9-7-12)18-10-4-5-11-18/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 62847063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).