N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide

C20H22N2O4 — CID 72891993

IUPACN-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide
SMILESCOc1ccc(C(C)=O)cc1NC(=O)N1CC(Oc2cccc(C)c2)C1
InChIInChI=1S/C20H22N2O4/c1-13-5-4-6-16(9-13)26-17-11-22(12-17)20(24)21-18-10-15(14(2)23)7-8-19(18)25-3/h4-10,17H,11-12H2,1-3H3,(H,21,24)
InChIKeyBFWPANVWYPMXII-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.50
Rot. Bonds5

About N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide

N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide (PubChem CID 72891993) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide
PubChem CID72891993
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide
SMILESCOc1ccc(C(C)=O)cc1NC(=O)N1CC(Oc2cccc(C)c2)C1
InChIInChI=1S/C20H22N2O4/c1-13-5-4-6-16(9-13)26-17-11-22(12-17)20(24)21-18-10-15(14(2)23)7-8-19(18)25-3/h4-10,17H,11-12H2,1-3H3,(H,21,24)
InChIKeyBFWPANVWYPMXII-UHFFFAOYSA-N
XLogP3.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828
N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
CID 74231302
3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
CID 125446145
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247300
N-(2,3-dimethoxyphenyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249694
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
(3R)-N-(2-methoxyphenyl)-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 99877909
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122571233
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide?
The IUPAC name of N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide (CID 72891993) is N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide?
The canonical SMILES for N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide is COc1ccc(C(C)=O)cc1NC(=O)N1CC(Oc2cccc(C)c2)C1.
What is the InChIKey of N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide?
The InChIKey is BFWPANVWYPMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-5-4-6-16(9-13)26-17-11-22(12-17)20(24)21-18-10-15(14(2)23)7-8-19(18)25-3/h4-10,17H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide?
N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide is sourced from PubChem (CID 72891993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).