N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide

C17H26N2O3 — CID 99932617

IUPACN-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESCCOc1ccccc1CCCNC(=O)C[C@H]1CNCCO1
InChIInChI=1S/C17H26N2O3/c1-2-21-16-8-4-3-6-14(16)7-5-9-19-17(20)12-15-13-18-10-11-22-15/h3-4,6,8,15,18H,2,5,7,9-13H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyQKNBKIMDVAAVOC-HNNXBMFYSA-N
MW306.41 g/mol
LogP1.51
Rot. Bonds8

About N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide

N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide (PubChem CID 99932617) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide
PubChem CID99932617
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESCCOc1ccccc1CCCNC(=O)C[C@H]1CNCCO1
InChIInChI=1S/C17H26N2O3/c1-2-21-16-8-4-3-6-14(16)7-5-9-19-17(20)12-15-13-18-10-11-22-15/h3-4,6,8,15,18H,2,5,7,9-13H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyQKNBKIMDVAAVOC-HNNXBMFYSA-N
XLogP1.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide?
The IUPAC name of N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide (CID 99932617) is N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide.
What is the SMILES notation for N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide?
The canonical SMILES for N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide is CCOc1ccccc1CCCNC(=O)C[C@H]1CNCCO1.
What is the InChIKey of N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide?
The InChIKey is QKNBKIMDVAAVOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-21-16-8-4-3-6-14(16)7-5-9-19-17(20)12-15-13-18-10-11-22-15/h3-4,6,8,15,18H,2,5,7,9-13H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide?
N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide is sourced from PubChem (CID 99932617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).