3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide

C23H22N2O3 — CID 51947210

IUPAC3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-17(28-21-13-6-3-7-14-21)22(26)24-16-18-9-8-10-19(15-18)23(27)25-20-11-4-2-5-12-20/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyWFNDAQKTBDNDNP-KRWDZBQOSA-N
MW374.44 g/mol
LogP4.02
Rot. Bonds7

About 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide

3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide (PubChem CID 51947210) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide
PubChem CID51947210
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-17(28-21-13-6-3-7-14-21)22(26)24-16-18-9-8-10-19(15-18)23(27)25-20-11-4-2-5-12-20/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyWFNDAQKTBDNDNP-KRWDZBQOSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
3-[[(2-acetamido-3-methylbutanoyl)amino]methyl]-N-phenylbenzamide
CID 46466222
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970
3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide
CID 55795951
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
CID 46424518
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide (CID 51947210) is 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide is C[C@H](Oc1ccccc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide?
The InChIKey is WFNDAQKTBDNDNP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17(28-21-13-6-3-7-14-21)22(26)24-16-18-9-8-10-19(15-18)23(27)25-20-11-4-2-5-12-20/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27)/t17-/m0/s1.
What are the key properties of 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide?
3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 51947210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).