methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate

C20H19N3O3 — CID 134136445

IUPACmethyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3/c1-26-20(25)18(13-23-12-11-21-14-23)22-19(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,14,18H,13H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyBGJLLVCRNMWTNA-SFHVURJKSA-N
MW349.39 g/mol
LogP2.52
Rot. Bonds6

About methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate

methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate (PubChem CID 134136445) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
PubChem CID134136445
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namemethyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3/c1-26-20(25)18(13-23-12-11-21-14-23)22-19(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,14,18H,13H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyBGJLLVCRNMWTNA-SFHVURJKSA-N
XLogP2.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
2-methylpropyl (2S)-3-imidazol-1-yl-2-[[4-(2-methylphenyl)benzoyl]amino]propanoate
CID 134154971
propan-2-yl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134145234
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide
CID 175034647
propan-2-yl (2S)-2-[[4-(2,4-difluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134152409
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide
CID 155518982
methyl 2-benzyl-3-imidazol-1-ylpropanoate
CID 15018129
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
methyl 2-(1,3-dioxoisoindol-2-yl)-3-imidazol-1-ylpropanoate
CID 54174040

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate?
The IUPAC name of methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate (CID 134136445) is methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate is COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate?
The InChIKey is BGJLLVCRNMWTNA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-20(25)18(13-23-12-11-21-14-23)22-19(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,14,18H,13H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate?
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate has a molecular weight of 349.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate is sourced from PubChem (CID 134136445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).