methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate

C18H18ClNO4 — CID 40813309

IUPACmethyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)c1ccccc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-23-16-6-4-3-5-14(16)18(22)20-15(11-17(21)24-2)12-7-9-13(19)10-8-12/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyOXRAEYYYFXIKOO-HNNXBMFYSA-N
MW347.80 g/mol
LogP3.38
Rot. Bonds6

About methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate

methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 40813309) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID40813309
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Namemethyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)c1ccccc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-23-16-6-4-3-5-14(16)18(22)20-15(11-17(21)24-2)12-7-9-13(19)10-8-12/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyOXRAEYYYFXIKOO-HNNXBMFYSA-N
XLogP3.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380231
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 134015725
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871
methyl 3-[(2-bromo-5-methoxybenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55369954
methyl 3-[(5-bromo-2-fluorobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55439318
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate (CID 40813309) is methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate is COC(=O)C[C@H](NC(=O)c1ccccc1OC)c1ccc(Cl)cc1.
What is the InChIKey of methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is OXRAEYYYFXIKOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-23-16-6-4-3-5-14(16)18(22)20-15(11-17(21)24-2)12-7-9-13(19)10-8-12/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate?
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 347.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 40813309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).