benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate

C25H25NO2 — CID 146169609

IUPACbenzyl 2-(N-methylanilino)-2-phenylpent-4-enoate
SMILESC=CCC(C(=O)OCc1ccccc1)(c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-3-19-25(22-15-9-5-10-16-22,26(2)23-17-11-6-12-18-23)24(27)28-20-21-13-7-4-8-14-21/h3-18H,1,19-20H2,2H3
InChIKeyMEVKSRJCPMVEEN-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.34
Rot. Bonds8

About benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate

benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate (PubChem CID 146169609) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate.

Molecular Properties

Compound Namebenzyl 2-(N-methylanilino)-2-phenylpent-4-enoate
PubChem CID146169609
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Namebenzyl 2-(N-methylanilino)-2-phenylpent-4-enoate
SMILESC=CCC(C(=O)OCc1ccccc1)(c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-3-19-25(22-15-9-5-10-16-22,26(2)23-17-11-6-12-18-23)24(27)28-20-21-13-7-4-8-14-21/h3-18H,1,19-20H2,2H3
InChIKeyMEVKSRJCPMVEEN-UHFFFAOYSA-N
XLogP5.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
benzyl 1-acetyl-2-benzyl-3H-indole-2-carboxylate
CID 70689983
[2-(N-methylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2336883
Ethyl 4'-(dimethylamino)biphenyl-3-carboxylate
CID 19430206
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
N-Phenyl-N-phenylacetylaminophenylacetic acid methyl ester
CID 3068539
Glycine, N,2-diphenyl-N-(phenylacetyl)-, ethyl ester
CID 3068543
ethyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483891

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate?
The IUPAC name of benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate (CID 146169609) is benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate.
What is the SMILES notation for benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate?
The canonical SMILES for benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate is C=CCC(C(=O)OCc1ccccc1)(c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate?
The InChIKey is MEVKSRJCPMVEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-19-25(22-15-9-5-10-16-22,26(2)23-17-11-6-12-18-23)24(27)28-20-21-13-7-4-8-14-21/h3-18H,1,19-20H2,2H3.
What are the key properties of benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate?
benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate has a molecular weight of 371.48 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(N-methylanilino)-2-phenylpent-4-enoate is sourced from PubChem (CID 146169609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).