(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide

C24H25NO4 — CID 9296848

IUPAC(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C24H25NO4/c1-2-23(29-22-11-7-4-8-12-22)24(26)25-19-13-15-21(16-14-19)28-18-17-27-20-9-5-3-6-10-20/h3-16,23H,2,17-18H2,1H3,(H,25,26)/t23-/m0/s1
InChIKeyZMNAUCPYCJYHDJ-QHCPKHFHSA-N
MW391.47 g/mol
LogP4.94
Rot. Bonds10

About (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide

(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide (PubChem CID 9296848) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
PubChem CID9296848
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C24H25NO4/c1-2-23(29-22-11-7-4-8-12-22)24(26)25-19-13-15-21(16-14-19)28-18-17-27-20-9-5-3-6-10-20/h3-16,23H,2,17-18H2,1H3,(H,25,26)/t23-/m0/s1
InChIKeyZMNAUCPYCJYHDJ-QHCPKHFHSA-N
XLogP4.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide 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

N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide?
The IUPAC name of (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide (CID 9296848) is (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide?
The canonical SMILES for (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide is CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide?
The InChIKey is ZMNAUCPYCJYHDJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-23(29-22-11-7-4-8-12-22)24(26)25-19-13-15-21(16-14-19)28-18-17-27-20-9-5-3-6-10-20/h3-16,23H,2,17-18H2,1H3,(H,25,26)/t23-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide?
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide has a molecular weight of 391.47 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide is sourced from PubChem (CID 9296848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).