3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

C22H22N2O2 — CID 60557001

IUPAC3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-17(2)24(16-18-8-7-13-23-15-18)22(25)19-9-6-12-21(14-19)26-20-10-4-3-5-11-20/h3-15,17H,16H2,1-2H3
InChIKeyDRUHVYAJKRMWAX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.92
Rot. Bonds6

About 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 60557001) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID60557001
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-17(2)24(16-18-8-7-13-23-15-18)22(25)19-9-6-12-21(14-19)26-20-10-4-3-5-11-20/h3-15,17H,16H2,1-2H3
InChIKeyDRUHVYAJKRMWAX-UHFFFAOYSA-N
XLogP4.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997
N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
CID 52663723
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
CID 2511443
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40996072
1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 126837543

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (CID 60557001) is 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is CC(C)N(Cc1cccnc1)C(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DRUHVYAJKRMWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17(2)24(16-18-8-7-13-23-15-18)22(25)19-9-6-12-21(14-19)26-20-10-4-3-5-11-20/h3-15,17H,16H2,1-2H3.
What are the key properties of 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 60557001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).