N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide

C19H28N2O3 — CID 122564875

IUPACN-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide
SMILESCOc1ccccc1OC1CN(C(=O)NCCC2CCCCC2)C1
InChIInChI=1S/C19H28N2O3/c1-23-17-9-5-6-10-18(17)24-16-13-21(14-16)19(22)20-12-11-15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,22)
InChIKeySDXKWFCYHQGOHU-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.44
Rot. Bonds6

About N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide

N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide (PubChem CID 122564875) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide
PubChem CID122564875
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide
SMILESCOc1ccccc1OC1CN(C(=O)NCCC2CCCCC2)C1
InChIInChI=1S/C19H28N2O3/c1-23-17-9-5-6-10-18(17)24-16-13-21(14-16)19(22)20-12-11-15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,22)
InChIKeySDXKWFCYHQGOHU-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenoxy)-N-(2-piperidin-1-ylbutyl)azetidine-1-carboxamide
CID 122564976
3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide
CID 125442303
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
N-(2-cyclopentylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 55808732
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97195949
2-[(3R)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97195950
N-(2-cyclohexylethyl)-3-hydroxypiperidine-1-carboxamide
CID 110896376
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618033

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide (CID 122564875) is N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide is COc1ccccc1OC1CN(C(=O)NCCC2CCCCC2)C1.
What is the InChIKey of N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide?
The InChIKey is SDXKWFCYHQGOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-9-5-6-10-18(17)24-16-13-21(14-16)19(22)20-12-11-15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,22).
What are the key properties of N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide?
N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide is sourced from PubChem (CID 122564875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).