N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide

C26H28N2O3 — CID 7590033

IUPACN-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-20(15-16-21-9-4-2-5-10-21)28-25(29)19-31-24-14-8-13-23(17-24)26(30)27-18-22-11-6-3-7-12-22/h2-14,17,20H,15-16,18-19H2,1H3,(H,27,30)(H,28,29)/t20-/m0/s1
InChIKeyNZNQDBGTCJPDDM-FQEVSTJZSA-N
MW416.52 g/mol
LogP4.13
Rot. Bonds10

About N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide

N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide (PubChem CID 7590033) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
PubChem CID7590033
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-20(15-16-21-9-4-2-5-10-21)28-25(29)19-31-24-14-8-13-23(17-24)26(30)27-18-22-11-6-3-7-12-22/h2-14,17,20H,15-16,18-19H2,1H3,(H,27,30)(H,28,29)/t20-/m0/s1
InChIKeyNZNQDBGTCJPDDM-FQEVSTJZSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.13
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-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N-benzyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 9253229
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
CID 7492302
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
diethyl 5-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzene-1,3-dicarboxylate
CID 7917436
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241
N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
CID 17455733

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide (CID 7590033) is N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide is C[C@@H](CCc1ccccc1)NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide?
The InChIKey is NZNQDBGTCJPDDM-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-20(15-16-21-9-4-2-5-10-21)28-25(29)19-31-24-14-8-13-23(17-24)26(30)27-18-22-11-6-3-7-12-22/h2-14,17,20H,15-16,18-19H2,1H3,(H,27,30)(H,28,29)/t20-/m0/s1.
What are the key properties of N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide?
N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide is sourced from PubChem (CID 7590033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).