2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C15H23N3O — CID 63206760

IUPAC2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc(C(=O)N(C)CCN2CCCC2)c1N
InChIInChI=1S/C15H23N3O/c1-12-6-5-7-13(14(12)16)15(19)17(2)10-11-18-8-3-4-9-18/h5-7H,3-4,8-11,16H2,1-2H3
InChIKeyDTQRKTOBRYVTAG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide

2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 63206760) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID63206760
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc(C(=O)N(C)CCN2CCCC2)c1N
InChIInChI=1S/C15H23N3O/c1-12-6-5-7-13(14(12)16)15(19)17(2)10-11-18-8-3-4-9-18/h5-7H,3-4,8-11,16H2,1-2H3
InChIKeyDTQRKTOBRYVTAG-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-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055
2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 55161858
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104547877
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 82833511
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
CID 43401472
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 63206760) is 2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1cccc(C(=O)N(C)CCN2CCCC2)c1N.
What is the InChIKey of 2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is DTQRKTOBRYVTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-5-7-13(14(12)16)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,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-amino-N,3-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,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 63206760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).