methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate

C21H25NO4 — CID 47013808

IUPACmethyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(COC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-15(2)26-14-16-9-11-18(12-10-16)21(24)22-19(13-20(23)25-3)17-7-5-4-6-8-17/h4-12,15,19H,13-14H2,1-3H3,(H,22,24)
InChIKeyFOEDWUYYICZDLL-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.65
Rot. Bonds8

About methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate

methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate (PubChem CID 47013808) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate
PubChem CID47013808
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namemethyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(COC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-15(2)26-14-16-9-11-18(12-10-16)21(24)22-19(13-20(23)25-3)17-7-5-4-6-8-17/h4-12,15,19H,13-14H2,1-3H3,(H,22,24)
InChIKeyFOEDWUYYICZDLL-UHFFFAOYSA-N
XLogP3.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl (3S)-3-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 91556089
(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate
CID 18277631
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 46657420
methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate
CID 46483772
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
CID 41177012
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate (CID 47013808) is methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate is COC(=O)CC(NC(=O)c1ccc(COC(C)C)cc1)c1ccccc1.
What is the InChIKey of methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate?
The InChIKey is FOEDWUYYICZDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15(2)26-14-16-9-11-18(12-10-16)21(24)22-19(13-20(23)25-3)17-7-5-4-6-8-17/h4-12,15,19H,13-14H2,1-3H3,(H,22,24).
What are the key properties of methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate?
methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate has a molecular weight of 355.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate is sourced from PubChem (CID 47013808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).