2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C22H27N3O3 — CID 4943689

IUPAC2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-8-10-18(11-9-16)28-17(2)21(26)23-20-7-5-4-6-19(20)22(27)25-14-12-24(3)13-15-25/h4-11,17H,12-15H2,1-3H3,(H,23,26)
InChIKeyTZAHBPOUNPTUMM-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 4943689) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID4943689
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-8-10-18(11-9-16)28-17(2)21(26)23-20-7-5-4-6-19(20)22(27)25-14-12-24(3)13-15-25/h4-11,17H,12-15H2,1-3H3,(H,23,26)
InChIKeyTZAHBPOUNPTUMM-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 4943689) is 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is TZAHBPOUNPTUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-8-10-18(11-9-16)28-17(2)21(26)23-20-7-5-4-6-19(20)22(27)25-14-12-24(3)13-15-25/h4-11,17H,12-15H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 4943689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).