2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide

C22H29N3O3 — CID 132657777

IUPAC2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
SMILESCOc1ccccc1OC(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-17(28-21-7-5-4-6-20(21)27-3)22(26)23-16-18-8-10-19(11-9-18)25-14-12-24(2)13-15-25/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKeyNTDCLGSIQZABDO-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.53
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide

2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide (PubChem CID 132657777) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
PubChem CID132657777
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
SMILESCOc1ccccc1OC(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-17(28-21-7-5-4-6-20(21)27-3)22(26)23-16-18-8-10-19(11-9-18)25-14-12-24(2)13-15-25/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKeyNTDCLGSIQZABDO-UHFFFAOYSA-N
XLogP2.53
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 99972794
2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56919529
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 94249254
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
2-(2-chlorophenoxy)-N-[[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]methyl]propanamide
CID 172887268
(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 99959505
N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235388
(2S)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenylsulfanylpropanamide
CID 95118203
(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99132139
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
(2S)-2-(2-methoxyphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 95706646

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide (CID 132657777) is 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide is COc1ccccc1OC(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The InChIKey is NTDCLGSIQZABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17(28-21-7-5-4-6-20(21)27-3)22(26)23-16-18-8-10-19(11-9-18)25-14-12-24(2)13-15-25/h4-11,17H,12-16H2,1-3H3,(H,23,26).
What are the key properties of 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 132657777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).