methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate

C18H20N2O2 — CID 135143039

IUPACmethyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
SMILESC=CCN[C@](C(=O)OC)(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C18H20N2O2/c1-3-13-20-18(17(21)22-2,14-7-5-4-6-8-14)15-9-11-16(19)12-10-15/h3-12,20H,1,13,19H2,2H3/t18-/m1/s1
InChIKeyULVCEALPBKHMTA-GOSISDBHSA-N
MW296.37 g/mol
LogP2.46
Rot. Bonds6

About methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate

methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate (PubChem CID 135143039) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
PubChem CID135143039
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namemethyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
SMILESC=CCN[C@](C(=O)OC)(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C18H20N2O2/c1-3-13-20-18(17(21)22-2,14-7-5-4-6-8-14)15-9-11-16(19)12-10-15/h3-12,20H,1,13,19H2,2H3/t18-/m1/s1
InChIKeyULVCEALPBKHMTA-GOSISDBHSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
CID 103464935
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
butanedioic acid;bis(2-phenyl-N-prop-2-enylpropan-2-amine)
CID 173249762
methyl 2-(aminomethyl)-3-(4-aminophenyl)-2-phenylpropanoate
CID 106489201
3-phenyl-N-prop-2-enylpentan-3-amine
CID 174436500
methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
CID 162399408
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
methyl 2-[2-(2-methoxyacetyl)hydrazinyl]-2,2-diphenylacetate
CID 20696173
methyl 3-[[2-(hydroxymethyl)-2-phenylpent-4-enoyl]amino]-2,2,3-trimethylbutanoate
CID 59887350
methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate
CID 90989848
methyl 2-benzyl-2-cyanopent-4-enoate
CID 122226201

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate?
The IUPAC name of methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate (CID 135143039) is methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate.
What is the SMILES notation for methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate?
The canonical SMILES for methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate is C=CCN[C@](C(=O)OC)(c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate?
The InChIKey is ULVCEALPBKHMTA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-13-20-18(17(21)22-2,14-7-5-4-6-8-14)15-9-11-16(19)12-10-15/h3-12,20H,1,13,19H2,2H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate?
methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate has a molecular weight of 296.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 135143039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).