methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate

C20H24N2O5 — CID 5126515

IUPACmethyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C20H24N2O5/c1-25-16-10-9-15(18(12-16)26-2)13-21-20(24)22-17(19(23)27-3)11-14-7-5-4-6-8-14/h4-10,12,17H,11,13H2,1-3H3,(H2,21,22,24)
InChIKeyLKWZYXDFOFSWPC-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.29
Rot. Bonds8

About methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate

methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate (PubChem CID 5126515) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
PubChem CID5126515
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C20H24N2O5/c1-25-16-10-9-15(18(12-16)26-2)13-21-20(24)22-17(19(23)27-3)11-14-7-5-4-6-8-14/h4-10,12,17H,11,13H2,1-3H3,(H2,21,22,24)
InChIKeyLKWZYXDFOFSWPC-UHFFFAOYSA-N
XLogP2.29
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412
methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 3831321
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 6956485
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 141372630
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
(2,4-dimethoxyphenyl)methylurea
CID 53362457
2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 84568095
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
[(2S,3R)-4-[(2,4-dimethoxyphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70143955
1-[(2,4-dimethoxyphenyl)methyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 87039146
3-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66164937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate (CID 5126515) is methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)NCc1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate?
The InChIKey is LKWZYXDFOFSWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-25-16-10-9-15(18(12-16)26-2)13-21-20(24)22-17(19(23)27-3)11-14-7-5-4-6-8-14/h4-10,12,17H,11,13H2,1-3H3,(H2,21,22,24).
What are the key properties of methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate?
methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate has a molecular weight of 372.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 5126515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).