N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide

C21H25N3O4 — CID 74231302

IUPACN-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
SMILESCCc1ccccc1OC1CN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)C1
InChIInChI=1S/C21H25N3O4/c1-4-15-7-5-6-8-19(15)28-17-12-24(13-17)21(26)23-16-9-10-20(27-3)18(11-16)22-14(2)25/h5-11,17H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyPRQLOIBLDLGBMP-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.51
Rot. Bonds6

About N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide

N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide (PubChem CID 74231302) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
PubChem CID74231302
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
SMILESCCc1ccccc1OC1CN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)C1
InChIInChI=1S/C21H25N3O4/c1-4-15-7-5-6-8-19(15)28-17-12-24(13-17)21(26)23-16-9-10-20(27-3)18(11-16)22-14(2)25/h5-11,17H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyPRQLOIBLDLGBMP-UHFFFAOYSA-N
XLogP3.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 72891993
(3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
CID 97285383
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8789619
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-(3-cyclopropyloxy-4-ethylphenyl)acetamide
CID 59026368
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide (CID 74231302) is N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide is CCc1ccccc1OC1CN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)C1.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide?
The InChIKey is PRQLOIBLDLGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-15-7-5-6-8-19(15)28-17-12-24(13-17)21(26)23-16-9-10-20(27-3)18(11-16)22-14(2)25/h5-11,17H,4,12-13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide is sourced from PubChem (CID 74231302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).