2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C19H25N3O2 — CID 119873717

IUPAC2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)Cc2ccc(N)cc2)N2CCCC2)o1
InChIInChI=1S/C19H25N3O2/c1-14-4-9-18(24-14)17(22-10-2-3-11-22)13-21-19(23)12-15-5-7-16(20)8-6-15/h4-9,17H,2-3,10-13,20H2,1H3,(H,21,23)
InChIKeyZURCPDLEGKYXQJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.67
Rot. Bonds6

About 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 119873717) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID119873717
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)Cc2ccc(N)cc2)N2CCCC2)o1
InChIInChI=1S/C19H25N3O2/c1-14-4-9-18(24-14)17(22-10-2-3-11-22)13-21-19(23)12-15-5-7-16(20)8-6-15/h4-9,17H,2-3,10-13,20H2,1H3,(H,21,23)
InChIKeyZURCPDLEGKYXQJ-UHFFFAOYSA-N
XLogP2.67
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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;dihydrochloride
CID 119873716
5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 120646001
7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide
CID 119873705
3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 75419402
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 45155822
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate
CID 95289325
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 119873717) is 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc(C(CNC(=O)Cc2ccc(N)cc2)N2CCCC2)o1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is ZURCPDLEGKYXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-4-9-18(24-14)17(22-10-2-3-11-22)13-21-19(23)12-15-5-7-16(20)8-6-15/h4-9,17H,2-3,10-13,20H2,1H3,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 119873717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).