N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide

C24H24N2O3 — CID 9253337

IUPACN-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C24H24N2O3/c1-18(23(27)25-16-19-9-4-2-5-10-19)29-22-14-8-13-21(15-22)24(28)26-17-20-11-6-3-7-12-20/h2-15,18H,16-17H2,1H3,(H,25,27)(H,26,28)/t18-/m0/s1
InChIKeyDATSLXFPLWOMMS-SFHVURJKSA-N
MW388.47 g/mol
LogP3.70
Rot. Bonds8

About N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide

N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 9253337) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID9253337
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C24H24N2O3/c1-18(23(27)25-16-19-9-4-2-5-10-19)29-22-14-8-13-21(15-22)24(28)26-17-20-11-6-3-7-12-20/h2-15,18H,16-17H2,1H3,(H,25,27)(H,26,28)/t18-/m0/s1
InChIKeyDATSLXFPLWOMMS-SFHVURJKSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9253400
N-benzyl-3-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9253397
3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide
CID 51947210
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide (CID 9253337) is N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide is C[C@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is DATSLXFPLWOMMS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-18(23(27)25-16-19-9-4-2-5-10-19)29-22-14-8-13-21(15-22)24(28)26-17-20-11-6-3-7-12-20/h2-15,18H,16-17H2,1H3,(H,25,27)(H,26,28)/t18-/m0/s1.
What are the key properties of N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide?
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 9253337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).