N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide

C24H21N3O3 — CID 9253400

IUPACN-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C24H21N3O3/c1-17(23(28)27-22-13-6-5-10-20(22)15-25)30-21-12-7-11-19(14-21)24(29)26-16-18-8-3-2-4-9-18/h2-14,17H,16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyWMQGSXGDGCVTIO-QGZVFWFLSA-N
MW399.45 g/mol
LogP3.89
Rot. Bonds7

About N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide

N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 9253400) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID9253400
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C24H21N3O3/c1-17(23(28)27-22-13-6-5-10-20(22)15-25)30-21-12-7-11-19(14-21)24(29)26-16-18-8-3-2-4-9-18/h2-14,17H,16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyWMQGSXGDGCVTIO-QGZVFWFLSA-N
XLogP3.89
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9253397
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882309
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109054791
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 46791832
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
CID 8792692

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide (CID 9253400) is N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide is C[C@@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is WMQGSXGDGCVTIO-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17(23(28)27-22-13-6-5-10-20(22)15-25)30-21-12-7-11-19(14-21)24(29)26-16-18-8-3-2-4-9-18/h2-14,17H,16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1.
What are the key properties of N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide?
N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 399.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 9253400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).