methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate

C19H19NO3 — CID 102456395

IUPACmethyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C\c1ccccc1)CN(C(C)=O)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-15(21)20(18-11-7-4-8-12-18)14-17(19(22)23-2)13-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3/b17-13-
InChIKeyOPFVIZFHHCOROS-LGMDPLHJSA-N
MW309.37 g/mol
LogP3.30
Rot. Bonds5

About methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate

methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate (PubChem CID 102456395) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate
PubChem CID102456395
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C\c1ccccc1)CN(C(C)=O)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-15(21)20(18-11-7-4-8-12-18)14-17(19(22)23-2)13-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3/b17-13-
InChIKeyOPFVIZFHHCOROS-LGMDPLHJSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(N-acetylanilino)methyl]prop-2-enoate
CID 122402502
dimethyl 2-benzylidenebutanedioate
CID 4688794
methyl (Z)-3-phenyl-2-(sulfanylmethyl)prop-2-enoate
CID 42598055
methyl (E)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 10889836
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
N-[(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enyl]-N-phenylacetamide
CID 162406418
methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenylprop-2-enoyl]anilino)acetate
CID 54319892
trifluoro-[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]boranuide
CID 102173037
methyl (E)-3-phenyl-2-[(propan-2-ylamino)methyl]prop-2-enoate
CID 10513819
methyl (Z)-2-[(N-benzyl-2-bromoanilino)methyl]-3-phenylprop-2-enoate
CID 102297001
methyl 2-benzylidenepentanoate;methyl 2-methyl-3-phenylhex-2-enoate
CID 175495515
methyl (Z)-3-phenyl-2-(propylsulfanylmethyl)prop-2-enoate
CID 139256365

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate (CID 102456395) is methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate is COC(=O)/C(=C\c1ccccc1)CN(C(C)=O)c1ccccc1.
What is the InChIKey of methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate?
The InChIKey is OPFVIZFHHCOROS-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H19NO3/c1-15(21)20(18-11-7-4-8-12-18)14-17(19(22)23-2)13-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3/b17-13-.
What are the key properties of methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate?
methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate has a molecular weight of 309.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[(N-acetylanilino)methyl]-3-phenylprop-2-enoate is sourced from PubChem (CID 102456395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).