5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide

C21H23N3O2 — CID 164866132

IUPAC5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc2[nH]ccc12
InChIInChI=1S/C21H23N3O2/c1-13-6-7-15(26-16-11-22-12-16)10-19(13)21(25)24-14(2)17-4-3-5-20-18(17)8-9-23-20/h3-10,14,16,22-23H,11-12H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyJIBLZYAOKSZHMR-CQSZACIVSA-N
MW349.43 g/mol
LogP3.32
Rot. Bonds5

About 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide

5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide (PubChem CID 164866132) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide
PubChem CID164866132
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc2[nH]ccc12
InChIInChI=1S/C21H23N3O2/c1-13-6-7-15(26-16-11-22-12-16)10-19(13)21(25)24-14(2)17-4-3-5-20-18(17)8-9-23-20/h3-10,14,16,22-23H,11-12H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyJIBLZYAOKSZHMR-CQSZACIVSA-N
XLogP3.32
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
CID 164866246
5-(azetidin-3-yloxy)-N-[1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
CID 174238104
3-[3-[[(1R)-1-(1H-indol-4-yl)ethyl]carbamoyl]-N,4-dimethylanilino]azetidine-1-carboxylic acid
CID 174234532
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-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide
CID 174238306
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-(2-methylpropyl)furan-2-yl]phenyl]ethyl]benzamide;hexane
CID 178174497
5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide
CID 156907304
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-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

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide (CID 164866132) is 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide is Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc2[nH]ccc12.
What is the InChIKey of 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide?
The InChIKey is JIBLZYAOKSZHMR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-6-7-15(26-16-11-22-12-16)10-19(13)21(25)24-14(2)17-4-3-5-20-18(17)8-9-23-20/h3-10,14,16,22-23H,11-12H2,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide?
5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 164866132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).