methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate

C25H25NO2 — CID 146169624

IUPACmethyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate
SMILESC=CC(c1ccccc1)C(C(=O)OC)(c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-4-23(20-14-8-5-9-15-20)25(24(27)28-3,21-16-10-6-11-17-21)26(2)22-18-12-7-13-19-22/h4-19,23H,1H2,2-3H3
InChIKeyVYZRDXHZKIURTL-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.16
Rot. Bonds7

About methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate

methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate (PubChem CID 146169624) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate
PubChem CID146169624
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Namemethyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate
SMILESC=CC(c1ccccc1)C(C(=O)OC)(c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-4-23(20-14-8-5-9-15-20)25(24(27)28-3,21-16-10-6-11-17-21)26(2)22-18-12-7-13-19-22/h4-19,23H,1H2,2-3H3
InChIKeyVYZRDXHZKIURTL-UHFFFAOYSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(N-methylanilino)-2,3-diphenylpent-4-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

2-Phenylbutanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
CID 4014963
2-(4-Phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 45264309
methyl 4-(2-phenylethyl)-1-(N-propanoylanilino)cyclohexane-1-carboxylate
CID 101898612
methyl (2S)-3-(4-aminophenyl)-2-(dibenzylamino)propanoate
CID 168287764
Methyl {4-[(diphenylacetyl)amino]phenyl}acetate
CID 1295002
Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester
CID 117082
(1-Anilino-1-oxobutan-2-yl) 2,2-diphenylacetate
CID 118256616
N-(2-(Dimethylamino)ethyl)-N,2-diphenylglycine ethyl ester
CID 59242
Glycine, N-(2-(diethylamino)ethyl)-N,2-diphenyl-, ethyl ester
CID 59464
Glycine, N-(2-(diethylamino)ethyl)-N,2-diphenyl-, butyl ester
CID 59710
N-(2-(Diethylamino)ethyl)-N,2-diphenylglycine isopentyl ester
CID 59738
N-(2-(Dimethylamino)ethyl)-N,2-diphenylglycine propyl ester
CID 60416

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate?
The IUPAC name of methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate (CID 146169624) is methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate.
What is the SMILES notation for methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate?
The canonical SMILES for methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate is C=CC(c1ccccc1)C(C(=O)OC)(c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate?
The InChIKey is VYZRDXHZKIURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-4-23(20-14-8-5-9-15-20)25(24(27)28-3,21-16-10-6-11-17-21)26(2)22-18-12-7-13-19-22/h4-19,23H,1H2,2-3H3.
What are the key properties of methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate?
methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate has a molecular weight of 371.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-methylanilino)-2,3-diphenylpent-4-enoate is sourced from PubChem (CID 146169624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).