(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide

C22H29N3O2 — CID 51942158

IUPAC(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide
SMILESCCN1CCN(Cc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-3-24-13-15-25(16-14-24)17-19-9-11-20(12-10-19)23-22(26)18(2)27-21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyXVJVOFCNVAZFRZ-GOSISDBHSA-N
MW367.49 g/mol
LogP3.23
Rot. Bonds7

About (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide

(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide (PubChem CID 51942158) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide
PubChem CID51942158
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide
SMILESCCN1CCN(Cc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-3-24-13-15-25(16-14-24)17-19-9-11-20(12-10-19)23-22(26)18(2)27-21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyXVJVOFCNVAZFRZ-GOSISDBHSA-N
XLogP3.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
3-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbutanamide;trihydrochloride
CID 120504393
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
CID 55664598
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 55778329

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide (CID 51942158) is (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide is CCN1CCN(Cc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)CC1.
What is the InChIKey of (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide?
The InChIKey is XVJVOFCNVAZFRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-24-13-15-25(16-14-24)17-19-9-11-20(12-10-19)23-22(26)18(2)27-21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide?
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide has a molecular weight of 367.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 51942158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).