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

C15H23N3O2 — CID 82999437

IUPAC3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
SMILESCNC(=O)c1ccc(OCCC2CCCN2C)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-17-15(19)11-5-6-14(13(16)10-11)20-9-7-12-4-3-8-18(12)2/h5-6,10,12H,3-4,7-9,16H2,1-2H3,(H,17,19)
InChIKeySRLRFCIZJYZARL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds5

About 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide

3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide (PubChem CID 82999437) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
PubChem CID82999437
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
SMILESCNC(=O)c1ccc(OCCC2CCCN2C)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-17-15(19)11-5-6-14(13(16)10-11)20-9-7-12-4-3-8-18(12)2/h5-6,10,12H,3-4,7-9,16H2,1-2H3,(H,17,19)
InChIKeySRLRFCIZJYZARL-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoate
CID 61305476
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide
CID 82999878
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
CID 82070425
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
3-amino-N-methyl-4-[(1-methylpiperidin-3-yl)amino]benzamide
CID 82988709
3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarbothioamide
CID 107912273

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide (CID 82999437) is 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide is CNC(=O)c1ccc(OCCC2CCCN2C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide?
The InChIKey is SRLRFCIZJYZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-15(19)11-5-6-14(13(16)10-11)20-9-7-12-4-3-8-18(12)2/h5-6,10,12H,3-4,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide?
3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide is sourced from PubChem (CID 82999437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).