methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate

C16H21NO4 — CID 11336398

IUPACmethyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate
SMILESCOC(=O)/C=C(\c1ccccc1)C(C)N(C)CC(=O)OC
InChIInChI=1S/C16H21NO4/c1-12(17(2)11-16(19)21-4)14(10-15(18)20-3)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/b14-10-
InChIKeyDRELDCUYKVHRRN-UVTDQMKNSA-N
MW291.35 g/mol
LogP1.74
Rot. Bonds6

About methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate

methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate (PubChem CID 11336398) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate
PubChem CID11336398
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate
SMILESCOC(=O)/C=C(\c1ccccc1)C(C)N(C)CC(=O)OC
InChIInChI=1S/C16H21NO4/c1-12(17(2)11-16(19)21-4)14(10-15(18)20-3)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/b14-10-
InChIKeyDRELDCUYKVHRRN-UVTDQMKNSA-N
XLogP1.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-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 (Z)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate;hydrochloride
CID 11174825
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;methyl (Z)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate;hydrochloride
CID 45265672
methyl (E)-4,4-dichloro-3-phenylbut-2-enoate
CID 121219418
methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate
CID 71127944
methyl (E)-3-phenylpent-3-enoate
CID 10012736
methyl (E)-3-phenylbut-2-enoate
CID 5354835
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
methyl 3-[2,2-diphenylethenyl-[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-oxopropanoate
CID 101032636
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate?
The IUPAC name of methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate (CID 11336398) is methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate.
What is the SMILES notation for methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate?
The canonical SMILES for methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate is COC(=O)/C=C(\c1ccccc1)C(C)N(C)CC(=O)OC.
What is the InChIKey of methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate?
The InChIKey is DRELDCUYKVHRRN-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(17(2)11-16(19)21-4)14(10-15(18)20-3)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/b14-10-.
What are the key properties of methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate?
methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate has a molecular weight of 291.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate is sourced from PubChem (CID 11336398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).