N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide

C20H24N2O3 — CID 9253281

IUPACN-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCC[C@H](C)NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-3-15(2)22-19(23)14-25-18-11-7-10-17(12-18)20(24)21-13-16-8-5-4-6-9-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyBZCUOZGLQRSCEU-HNNXBMFYSA-N
MW340.42 g/mol
LogP2.91
Rot. Bonds8

About N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide

N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide (PubChem CID 9253281) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
PubChem CID9253281
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCC[C@H](C)NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-3-15(2)22-19(23)14-25-18-11-7-10-17(12-18)20(24)21-13-16-8-5-4-6-9-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyBZCUOZGLQRSCEU-HNNXBMFYSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 7590033
N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43278475
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
CID 7492302
N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057253
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
CID 60552825
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
N-benzyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 9253229
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide (CID 9253281) is N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide is CC[C@H](C)NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide?
The InChIKey is BZCUOZGLQRSCEU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-15(2)22-19(23)14-25-18-11-7-10-17(12-18)20(24)21-13-16-8-5-4-6-9-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1.
What are the key properties of N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide?
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 9253281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).