(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide

C22H29N3O3 — CID 99132139

IUPAC(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-19(28-21-8-6-5-7-20(21)27-3)22(26)23-17-9-11-18(12-10-17)25-15-13-24(2)14-16-25/h5-12,19H,4,13-16H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyOMGMYMOXAJJUHP-LJQANCHMSA-N
MW383.49 g/mol
LogP3.24
Rot. Bonds7

About (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide

(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide (PubChem CID 99132139) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
PubChem CID99132139
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-19(28-21-8-6-5-7-20(21)27-3)22(26)23-17-9-11-18(12-10-17)25-15-13-24(2)14-16-25/h5-12,19H,4,13-16H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyOMGMYMOXAJJUHP-LJQANCHMSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131495
(2R)-2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 99972794
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131284
(2S)-2-(3,4-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131283
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide
CID 7443433
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
(2R)-2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99133336
N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 28551833
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide?
The IUPAC name of (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide (CID 99132139) is (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide is CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide?
The InChIKey is OMGMYMOXAJJUHP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-19(28-21-8-6-5-7-20(21)27-3)22(26)23-17-9-11-18(12-10-17)25-15-13-24(2)14-16-25/h5-12,19H,4,13-16H2,1-3H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide?
(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide has a molecular weight of 383.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide is sourced from PubChem (CID 99132139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).