2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C15H23N3O — CID 55161858

IUPAC2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc(N)c1C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C15H23N3O/c1-12-6-5-7-13(16)14(12)15(19)17(2)10-11-18-8-3-4-9-18/h5-7H,3-4,8-11,16H2,1-2H3
InChIKeyCWENKKJKMSPQFK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide

2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 55161858) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID55161858
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc(N)c1C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C15H23N3O/c1-12-6-5-7-13(16)14(12)15(19)17(2)10-11-18-8-3-4-9-18/h5-7H,3-4,8-11,16H2,1-2H3
InChIKeyCWENKKJKMSPQFK-UHFFFAOYSA-N
XLogP1.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63206760
2-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055
2-amino-N,6-dimethyl-N-(2-phenylethyl)benzamide
CID 61108737
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
(2-amino-6-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210103
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
CID 61114023
2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62993945
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 82833511

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 55161858) is 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1cccc(N)c1C(=O)N(C)CCN1CCCC1.
What is the InChIKey of 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is CWENKKJKMSPQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-5-7-13(16)14(12)15(19)17(2)10-11-18-8-3-4-9-18/h5-7H,3-4,8-11,16H2,1-2H3.
What are the key properties of 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 55161858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).