methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate

C18H20N2O4 — CID 906695

IUPACmethyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O4/c1-23-15-10-8-14(9-11-15)19-18(22)20-16(17(21)24-2)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyBAYOVZZMBAFWBM-INIZCTEOSA-N
MW328.37 g/mol
LogP2.60
Rot. Bonds6

About methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate

methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate (PubChem CID 906695) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID906695
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O4/c1-23-15-10-8-14(9-11-15)19-18(22)20-16(17(21)24-2)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyBAYOVZZMBAFWBM-INIZCTEOSA-N
XLogP2.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate with MolForge

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Related Compounds

Arylaminoethyl amide deriv. 29
CID 23648402
(3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[(4-methoxyphenyl)carbamoylamino]-5-oxopentanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 166635917
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
1-(P-Anisyl)-3-benzylurea
CID 2822852
(2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-N-[(2S)-1-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl]propanamide
CID 23648401
methyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901605
2-((S)-2-{(S)-2-[3-(4-Methoxy-phenyl)-ureido]-4-methylsulfanyl-butyrylamino}-4-methyl-pentanoylamino)-3-phenyl-propionic acid
CID 44263999
1-(4-Methoxyphenyl)-3-(1-phenylethyl)urea
CID 2837289
3-[N-(4-methoxyphenyl)carbamoyl]-2-[(phenylethyl)amino]propanoic acid
CID 4749338
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide
CID 4780403
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 4880243
N-Phenylacetyl-glycin-p-anisidid
CID 9412035

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate (CID 906695) is methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate?
The InChIKey is BAYOVZZMBAFWBM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-10-8-14(9-11-15)19-18(22)20-16(17(21)24-2)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate?
methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 328.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 906695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).