5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide

C26H29N3O3 — CID 164866246

IUPAC5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1c(OC2CNC2)ccc2ccccc12
InChIInChI=1S/C26H29N3O3/c1-16-7-9-19(31-20-12-27-13-20)11-23(16)26(30)29-17(2)25-22-6-4-3-5-18(22)8-10-24(25)32-21-14-28-15-21/h3-11,17,20-21,27-28H,12-15H2,1-2H3,(H,29,30)/t17-/m1/s1
InChIKeyIFAGGDAXFMJZEX-QGZVFWFLSA-N
MW431.54 g/mol
LogP3.34
Rot. Bonds7

About 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide

5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide (PubChem CID 164866246) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
PubChem CID164866246
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1c(OC2CNC2)ccc2ccccc12
InChIInChI=1S/C26H29N3O3/c1-16-7-9-19(31-20-12-27-13-20)11-23(16)26(30)29-17(2)25-22-6-4-3-5-18(22)8-10-24(25)32-21-14-28-15-21/h3-11,17,20-21,27-28H,12-15H2,1-2H3,(H,29,30)/t17-/m1/s1
InChIKeyIFAGGDAXFMJZEX-QGZVFWFLSA-N
XLogP3.34
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azetidin-3-yloxy)-N-[1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
CID 174238104
5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide
CID 164866132
5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide
CID 171586293
N-[(1R)-1-[3-[5-(acetamidomethyl)thiophen-2-yl]phenyl]ethyl]-5-(azetidin-3-yloxy)-2-methylbenzamide
CID 164866124
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-(2-methylpropyl)furan-2-yl]phenyl]ethyl]benzamide;hexane
CID 178174497
5-(azetidin-3-yloxy)-N-[1-[3-[5-[[[(1S,3R)-3-hydroxycyclopentyl]amino]methyl]thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide
CID 174238270
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-[[[(3R)-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
CID 174238100
5-[3-[1-[[5-(azetidin-3-yloxy)-2-methylbenzoyl]amino]ethyl]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 174238369
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexan-3-ol
CID 178174538
5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide
CID 156907304
5-(azetidin-3-yloxy)-N-[1-[3-[5-[(hexan-3-ylamino)methyl]-1,3-thiazol-2-yl]phenyl]ethyl]-2-methylbenzamide
CID 164866168
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-[[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
CID 174237445

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide?
The IUPAC name of 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide (CID 164866246) is 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide is Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1c(OC2CNC2)ccc2ccccc12.
What is the InChIKey of 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide?
The InChIKey is IFAGGDAXFMJZEX-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-16-7-9-19(31-20-12-27-13-20)11-23(16)26(30)29-17(2)25-22-6-4-3-5-18(22)8-10-24(25)32-21-14-28-15-21/h3-11,17,20-21,27-28H,12-15H2,1-2H3,(H,29,30)/t17-/m1/s1.
What are the key properties of 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide?
5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide has a molecular weight of 431.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 164866246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).