methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate

C19H19NO5 — CID 17178335

IUPACmethyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)OC)cc1
InChIInChI=1S/C19H19NO5/c1-24-18(22)15-10-8-14(9-11-15)17(21)20-16(19(23)25-2)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,20,21)
InChIKeyVLIJGDWAPKVAIW-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.99
Rot. Bonds6

About methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate

methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate (PubChem CID 17178335) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
PubChem CID17178335
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)OC)cc1
InChIInChI=1S/C19H19NO5/c1-24-18(22)15-10-8-14(9-11-15)17(21)20-16(19(23)25-2)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,20,21)
InChIKeyVLIJGDWAPKVAIW-UHFFFAOYSA-N
XLogP1.99
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
ethane;methyl 4-[2-[(4-tert-butylbenzoyl)amino]-3-methoxy-3-oxopropyl]benzoate
CID 144758508
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197
methyl 4-[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-methoxy-3-oxopropyl]benzoate;molecular hydrogen
CID 145099125
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
methyl (2R)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoate
CID 9404525
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
CID 2801513
methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 2079908
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate (CID 17178335) is methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate?
The InChIKey is VLIJGDWAPKVAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-18(22)15-10-8-14(9-11-15)17(21)20-16(19(23)25-2)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate?
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate has a molecular weight of 341.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 17178335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).