methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate

C20H23FN2O3 — CID 3303529

IUPACmethyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)NC(=O)Nc1cc(C)c(C)cc1C
InChIInChI=1S/C20H23FN2O3/c1-12-9-14(3)17(10-13(12)2)22-20(25)23-18(19(24)26-4)11-15-5-7-16(21)8-6-15/h5-10,18H,11H2,1-4H3,(H2,22,23,25)
InChIKeySGOGGUANTVIGJN-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.66
Rot. Bonds5

About methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate

methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate (PubChem CID 3303529) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate
PubChem CID3303529
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Namemethyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)NC(=O)Nc1cc(C)c(C)cc1C
InChIInChI=1S/C20H23FN2O3/c1-12-9-14(3)17(10-13(12)2)22-20(25)23-18(19(24)26-4)11-15-5-7-16(21)8-6-15/h5-10,18H,11H2,1-4H3,(H2,22,23,25)
InChIKeySGOGGUANTVIGJN-UHFFFAOYSA-N
XLogP3.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-3-[3''-(3-Propyl-ureido)-biphenyl-4-yl]-2-ureido-propionic acid
CID 44266898
(2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-[4-[3-(propylcarbamoylamino)phenyl]phenyl]propanoic acid
CID 44266927
(S)-2-Ethoxycarbonylamino-3-[3''-(3-propyl-ureido)-biphenyl-4-yl]-propionic acid
CID 44266954
(2S)-2-(2-methylpropoxycarbonylamino)-3-[4-[3-(propylcarbamoylamino)phenyl]phenyl]propanoic acid
CID 44266969
(2S)-2-(cyclopentyloxycarbonylamino)-3-[4-[3-(propylcarbamoylamino)phenyl]phenyl]propanoic acid
CID 44266974
(2S)-2-(benzylcarbamoylamino)-3-[4-[3-(propylcarbamoylamino)phenyl]phenyl]propanoic acid
CID 44266978
(S)-3-Phenyl-2-(3-p-tolyl-ureido)-propionic acid methyl ester
CID 940803
methyl (2R)-3-(4-cyanophenyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)propanoate
CID 135331242
methyl (2R)-3-(3-cyanophenyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)propanoate
CID 146503710
methyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-phenylpropanoate
CID 146503750
(S)-2-{[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-amino}-3-phenyl-propionic acid methyl ester
CID 2012604
Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-phenylpropanoate
CID 146503681

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate (CID 3303529) is methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate is COC(=O)C(Cc1ccc(F)cc1)NC(=O)Nc1cc(C)c(C)cc1C.
What is the InChIKey of methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate?
The InChIKey is SGOGGUANTVIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-12-9-14(3)17(10-13(12)2)22-20(25)23-18(19(24)26-4)11-15-5-7-16(21)8-6-15/h5-10,18H,11H2,1-4H3,(H2,22,23,25).
What are the key properties of methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate?
methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate has a molecular weight of 358.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-2-[(2,4,5-trimethylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 3303529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).