N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide

C19H22N2O3 — CID 23558809

IUPACN-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide
SMILESCC(O)CNC(=O)N1CC(Oc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H22N2O3/c1-14(22)11-20-19(23)21-12-18(13-21)24-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18,22H,11-13H2,1H3,(H,20,23)
InChIKeyQJAGLQSHKYYREO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds5

About N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide

N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide (PubChem CID 23558809) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide
PubChem CID23558809
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide
SMILESCC(O)CNC(=O)N1CC(Oc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H22N2O3/c1-14(22)11-20-19(23)21-12-18(13-21)24-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18,22H,11-13H2,1H3,(H,20,23)
InChIKeyQJAGLQSHKYYREO-UHFFFAOYSA-N
XLogP2.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide
CID 142041041
3-phenoxy-N-(2-propan-2-ylsulfanylethyl)pyrrolidine-1-carboxamide
CID 122561495
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
methyl 2-[3-(4-phenylphenoxy)azetidin-1-yl]sulfonylacetate
CID 18379643
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide
CID 91844201
N-(2-methoxyethyl)-3-naphthalen-2-yloxyazetidine-1-carboxamide
CID 23558811
N-(2-hydroxyethyl)-3-naphthalen-2-yloxyazetidine-1-carboxamide
CID 23558804
4-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466236
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122571233

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide (CID 23558809) is N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide is CC(O)CNC(=O)N1CC(Oc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide?
The InChIKey is QJAGLQSHKYYREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(22)11-20-19(23)21-12-18(13-21)24-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18,22H,11-13H2,1H3,(H,20,23).
What are the key properties of N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide?
N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide is sourced from PubChem (CID 23558809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).