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

C19H22N2O5 — CID 2019412

IUPACmethyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C19H22N2O5/c1-24-14-9-10-15(17(12-14)25-2)20-19(23)21-16(18(22)26-3)11-13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyRAZQXTRRWVYCAX-INIZCTEOSA-N
MW358.39 g/mol
LogP2.61
Rot. Bonds7

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

methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate (PubChem CID 2019412) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID2019412
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C19H22N2O5/c1-24-14-9-10-15(17(12-14)25-2)20-19(23)21-16(18(22)26-3)11-13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyRAZQXTRRWVYCAX-INIZCTEOSA-N
XLogP2.61
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 5126515
2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 3373936
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92517009
2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3485822
methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate
CID 3720854
(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1058953
(2S)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538504
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871247
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 40932005
methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 141372630
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate (CID 2019412) is methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate?
The InChIKey is RAZQXTRRWVYCAX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-14-9-10-15(17(12-14)25-2)20-19(23)21-16(18(22)26-3)11-13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate?
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 358.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 2019412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).