4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C15H23N3O2 — CID 104782905

IUPAC4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)CC2CCN(C)C2)ccc1N
InChIInChI=1S/C15H23N3O2/c1-17-7-6-11(9-17)10-18(2)15(19)12-4-5-13(16)14(8-12)20-3/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyBPRQVIKPGFZGSP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.30
Rot. Bonds4

About 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 104782905) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID104782905
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)CC2CCN(C)C2)ccc1N
InChIInChI=1S/C15H23N3O2/c1-17-7-6-11(9-17)10-18(2)15(19)12-4-5-13(16)14(8-12)20-3/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyBPRQVIKPGFZGSP-UHFFFAOYSA-N
XLogP1.30
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
CID 104783050
2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 81393986
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765252
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 104782905) is 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is COc1cc(C(=O)N(C)CC2CCN(C)C2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is BPRQVIKPGFZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-7-6-11(9-17)10-18(2)15(19)12-4-5-13(16)14(8-12)20-3/h4-5,8,11H,6-7,9-10,16H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 104782905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).