methyl 2-[anilino(phenyl)methyl]prop-2-enoate

C17H17NO2 — CID 11780497

IUPACmethyl 2-[anilino(phenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(17(19)20-2)16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,1H2,2H3
InChIKeyUKSDEUQDHFASMG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.57
Rot. Bonds5

About methyl 2-[anilino(phenyl)methyl]prop-2-enoate

methyl 2-[anilino(phenyl)methyl]prop-2-enoate (PubChem CID 11780497) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[anilino(phenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[anilino(phenyl)methyl]prop-2-enoate
PubChem CID11780497
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-[anilino(phenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(17(19)20-2)16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,1H2,2H3
InChIKeyUKSDEUQDHFASMG-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(Benzylamino)phenyl]propanoic acid
CID 23346507
3-Methyl-11-phenyl-4,5,10,11-tetrahydropyrano[4,3-b][1,5]benzodiazepin-1(3H)-one
CID 367663
Prop-2-en-1-yl 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 623634
cyclohexylmethyl 4-(4-acetamidophenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 57327887
cyclohexylmethyl 6-ethyl-4-[4-(methylamino)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 57391290
Stk830030
CID 332934
3-(4-{[(4-Methylphenyl)methyl]amino}phenyl)propanoic acid
CID 24825496
3-(4-{[(3-Fluorophenyl)methyl]amino}phenyl)propanoic acid
CID 24825497
Ethyl 2-[(3-oxo-3-phenyl-1-propen-1-yl)amino]benzoate
CID 2291143
Diethyl [anilino(phenyl)methyl]malonate
CID 2899272
Ethyl 4-[4-(acetylamino)phenyl]-2-oxo-6-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2962554
3-methyl-11-(4-methylphenyl)-4,5,10,11-tetrahydropyrano[4,3-b][1,5]benzodiazepin-1(3H)-one
CID 3373332

Frequently Asked Questions

What is the IUPAC name of methyl 2-[anilino(phenyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[anilino(phenyl)methyl]prop-2-enoate (CID 11780497) is methyl 2-[anilino(phenyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[anilino(phenyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[anilino(phenyl)methyl]prop-2-enoate is C=C(C(=O)OC)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[anilino(phenyl)methyl]prop-2-enoate?
The InChIKey is UKSDEUQDHFASMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(17(19)20-2)16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,1H2,2H3.
What are the key properties of methyl 2-[anilino(phenyl)methyl]prop-2-enoate?
methyl 2-[anilino(phenyl)methyl]prop-2-enoate has a molecular weight of 267.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[anilino(phenyl)methyl]prop-2-enoate is sourced from PubChem (CID 11780497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).