4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C14H21N3O — CID 79303600

IUPAC4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN(CC1CCCN1C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-16-9-3-4-13(16)10-17(2)14(18)11-5-7-12(15)8-6-11/h5-8,13H,3-4,9-10,15H2,1-2H3
InChIKeyCTBBBZZHNQDOHQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds3

About 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 79303600) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID79303600
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN(CC1CCCN1C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-16-9-3-4-13(16)10-17(2)14(18)11-5-7-12(15)8-6-11/h5-8,13H,3-4,9-10,15H2,1-2H3
InChIKeyCTBBBZZHNQDOHQ-UHFFFAOYSA-N
XLogP1.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.43
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

4-amino-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303281
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 77086645
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 79315921
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
CID 79313317
4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 79304547
3-methoxy-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055690
3-methoxy-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055686
5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79314462
4-amino-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoic acid
CID 79312601
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 79319888
2-hydroxy-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79319088

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 79303600) is 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is CN(CC1CCCN1C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is CTBBBZZHNQDOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-9-3-4-13(16)10-17(2)14(18)11-5-7-12(15)8-6-11/h5-8,13H,3-4,9-10,15H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 79303600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).