2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

C21H29N3O3 — CID 51628683

IUPAC2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCN(C)CC2)cc1C
InChIInChI=1S/C21H29N3O3/c1-16-6-7-18(13-17(16)2)27-15-21(25)22-14-19(20-5-4-12-26-20)24-10-8-23(3)9-11-24/h4-7,12-13,19H,8-11,14-15H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeyCNFAPFCIDFMHEA-LJQANCHMSA-N
MW371.48 g/mol
LogP2.38
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 51628683) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID51628683
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCN(C)CC2)cc1C
InChIInChI=1S/C21H29N3O3/c1-16-6-7-18(13-17(16)2)27-15-21(25)22-14-19(20-5-4-12-26-20)24-10-8-23(3)9-11-24/h4-7,12-13,19H,8-11,14-15H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeyCNFAPFCIDFMHEA-LJQANCHMSA-N
XLogP2.38
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052510
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628719
2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 35043731
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 25161656
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 110302989
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40750980
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 23607196
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577553

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 51628683) is 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is Cc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCN(C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is CNFAPFCIDFMHEA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16-6-7-18(13-17(16)2)27-15-21(25)22-14-19(20-5-4-12-26-20)24-10-8-23(3)9-11-24/h4-7,12-13,19H,8-11,14-15H2,1-3H3,(H,22,25)/t19-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 51628683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).