5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

C19H25N3O2 — CID 120646001

IUPAC5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2cc(N)ccc2C)N2CCCC2)o1
InChIInChI=1S/C19H25N3O2/c1-13-5-7-15(20)11-16(13)19(23)21-12-17(22-9-3-4-10-22)18-8-6-14(2)24-18/h5-8,11,17H,3-4,9-10,12,20H2,1-2H3,(H,21,23)
InChIKeyZMUCDFZDSRMJMP-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.05
Rot. Bonds5

About 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 120646001) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID120646001
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2cc(N)ccc2C)N2CCCC2)o1
InChIInChI=1S/C19H25N3O2/c1-13-5-7-15(20)11-16(13)19(23)21-12-17(22-9-3-4-10-22)18-8-6-14(2)24-18/h5-8,11,17H,3-4,9-10,12,20H2,1-2H3,(H,21,23)
InChIKeyZMUCDFZDSRMJMP-UHFFFAOYSA-N
XLogP3.05
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.05
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

2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119873717
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119873716
2,3-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzamide
CID 138994759
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 26835109
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 120646001) is 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is Cc1ccc(C(CNC(=O)c2cc(N)ccc2C)N2CCCC2)o1.
What is the InChIKey of 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is ZMUCDFZDSRMJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-7-15(20)11-16(13)19(23)21-12-17(22-9-3-4-10-22)18-8-6-14(2)24-18/h5-8,11,17H,3-4,9-10,12,20H2,1-2H3,(H,21,23).
What are the key properties of 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 120646001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).