N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide

C16H23NO4 — CID 75392355

IUPACN-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
SMILESCCOc1cc(CCCNC(=O)C2CCO2)ccc1OC
InChIInChI=1S/C16H23NO4/c1-3-20-15-11-12(6-7-13(15)19-2)5-4-9-17-16(18)14-8-10-21-14/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyWNRKMULKFRXKHS-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.93
Rot. Bonds8

About N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide

N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide (PubChem CID 75392355) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
PubChem CID75392355
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
SMILESCCOc1cc(CCCNC(=O)C2CCO2)ccc1OC
InChIInChI=1S/C16H23NO4/c1-3-20-15-11-12(6-7-13(15)19-2)5-4-9-17-16(18)14-8-10-21-14/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyWNRKMULKFRXKHS-UHFFFAOYSA-N
XLogP1.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.93
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-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119786416
cis-(1S,2R)-2-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150507
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786390
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119786388
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363
1-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111574498
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
1-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122002866
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119786413
2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide
CID 120592359

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide?
The IUPAC name of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide (CID 75392355) is N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide?
The canonical SMILES for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide is CCOc1cc(CCCNC(=O)C2CCO2)ccc1OC.
What is the InChIKey of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide?
The InChIKey is WNRKMULKFRXKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-20-15-11-12(6-7-13(15)19-2)5-4-9-17-16(18)14-8-10-21-14/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide?
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide is sourced from PubChem (CID 75392355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).