3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide

C21H29N3O2 — CID 110302956

IUPAC3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCc2ccco2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H29N3O2/c1-17-5-7-18(8-6-17)20(24-13-11-23(2)12-14-24)16-22-21(25)10-9-19-4-3-15-26-19/h3-8,15,20H,9-14,16H2,1-2H3,(H,22,25)
InChIKeyRDXNNQHACGQBKJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.63
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide

3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide (PubChem CID 110302956) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
PubChem CID110302956
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCc2ccco2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H29N3O2/c1-17-5-7-18(8-6-17)20(24-13-11-23(2)12-14-24)16-22-21(25)10-9-19-4-3-15-26-19/h3-8,15,20H,9-14,16H2,1-2H3,(H,22,25)
InChIKeyRDXNNQHACGQBKJ-UHFFFAOYSA-N
XLogP2.63
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110622313
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110302964
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110622335
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 7384743
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide
CID 110303030
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 7384639
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide (CID 110302956) is 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide is Cc1ccc(C(CNC(=O)CCc2ccco2)N2CCN(C)CC2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is RDXNNQHACGQBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-17-5-7-18(8-6-17)20(24-13-11-23(2)12-14-24)16-22-21(25)10-9-19-4-3-15-26-19/h3-8,15,20H,9-14,16H2,1-2H3,(H,22,25).
What are the key properties of 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 110302956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).