methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate

C20H23ClN2O4 — CID 134006769

IUPACmethyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate
SMILESCOCc1ccccc1CNC(=O)NC(CC(=O)OC)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-26-13-15-8-4-3-7-14(15)12-22-20(25)23-18(11-19(24)27-2)16-9-5-6-10-17(16)21/h3-10,18H,11-13H2,1-2H3,(H2,22,23,25)
InChIKeyQZQRXKCIXHQZOM-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.59
Rot. Bonds8

About methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate

methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate (PubChem CID 134006769) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate
PubChem CID134006769
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate
SMILESCOCc1ccccc1CNC(=O)NC(CC(=O)OC)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-26-13-15-8-4-3-7-14(15)12-22-20(25)23-18(11-19(24)27-2)16-9-5-6-10-17(16)21/h3-10,18H,11-13H2,1-2H3,(H2,22,23,25)
InChIKeyQZQRXKCIXHQZOM-UHFFFAOYSA-N
XLogP3.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)propanoate
CID 36511132
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
methyl 3-(2-chlorophenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 58143336
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate
CID 51114947
methyl 3-(2-chlorophenyl)-3-(5-methoxypentanoylamino)propanoate
CID 86871718
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
methyl 3-[(2-bromobenzoyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256783
methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
CID 38590811
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
methyl 3-(2-chlorophenyl)-3-[1-(3,4,5-trimethoxyphenyl)ethylcarbamoylamino]propanoate
CID 55743646

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate (CID 134006769) is methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate is COCc1ccccc1CNC(=O)NC(CC(=O)OC)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate?
The InChIKey is QZQRXKCIXHQZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-26-13-15-8-4-3-7-14(15)12-22-20(25)23-18(11-19(24)27-2)16-9-5-6-10-17(16)21/h3-10,18H,11-13H2,1-2H3,(H2,22,23,25).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate?
methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate has a molecular weight of 390.87 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate is sourced from PubChem (CID 134006769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).