(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide

C23H31NO4 — CID 28631512

IUPAC(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
SMILESCCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C23H31NO4/c1-5-20(28-19-11-7-9-17(3)15-19)23(25)24-14-8-10-18-12-13-21(27-6-2)22(16-18)26-4/h7,9,11-13,15-16,20H,5-6,8,10,14H2,1-4H3,(H,24,25)/t20-/m1/s1
InChIKeyFVDMUMAEMDENDV-HXUWFJFHSA-N
MW385.50 g/mol
LogP4.31
Rot. Bonds11

About (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide

(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide (PubChem CID 28631512) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
PubChem CID28631512
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
SMILESCCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C23H31NO4/c1-5-20(28-19-11-7-9-17(3)15-19)23(25)24-14-8-10-18-12-13-21(27-6-2)22(16-18)26-4/h7,9,11-13,15-16,20H,5-6,8,10,14H2,1-4H3,(H,24,25)/t20-/m1/s1
InChIKeyFVDMUMAEMDENDV-HXUWFJFHSA-N
XLogP4.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide (CID 28631512) is (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide is CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1OC.
What is the InChIKey of (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is FVDMUMAEMDENDV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31NO4/c1-5-20(28-19-11-7-9-17(3)15-19)23(25)24-14-8-10-18-12-13-21(27-6-2)22(16-18)26-4/h7,9,11-13,15-16,20H,5-6,8,10,14H2,1-4H3,(H,24,25)/t20-/m1/s1.
What are the key properties of (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide?
(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 385.50 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 28631512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).