ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate

C23H29NO2 — CID 59052976

IUPACethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate
SMILESC=CCC(C(=O)OCC)N(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C23H29NO2/c1-3-11-22(23(25)26-4-2)24(18-16-20-12-7-5-8-13-20)19-17-21-14-9-6-10-15-21/h3,5-10,12-15,22H,1,4,11,16-19H2,2H3
InChIKeyDSRLILHHZMWIJF-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.28
Rot. Bonds11

About ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate

ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate (PubChem CID 59052976) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate
PubChem CID59052976
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Nameethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate
SMILESC=CCC(C(=O)OCC)N(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C23H29NO2/c1-3-11-22(23(25)26-4-2)24(18-16-20-12-7-5-8-13-20)19-17-21-14-9-6-10-15-21/h3,5-10,12-15,22H,1,4,11,16-19H2,2H3
InChIKeyDSRLILHHZMWIJF-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.28
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

ethyl (2S)-2-(dihydroxyamino)pent-4-enoate
CID 87282808
ethyl (2R)-2-[[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-prop-2-enylamino]propanoate
CID 7287765
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
CID 55063338
ethyl (2S)-2,3-bis(dibenzylamino)propanoate
CID 146168369
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
(2S)-2-(N-ethylanilino)pent-4-enoic acid
CID 67199848
ethyl 2-methylbutanoate;styrene
CID 91021086
ethyl N-(2-phenylethyl)-N-propanoylcarbamate
CID 71095623
diethyl 2-(2-phenylhex-5-en-3-yl)propanedioate
CID 15921970
2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate
CID 5325992
ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate
CID 125470309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate?
The IUPAC name of ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate (CID 59052976) is ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate.
What is the SMILES notation for ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate?
The canonical SMILES for ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate is C=CCC(C(=O)OCC)N(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate?
The InChIKey is DSRLILHHZMWIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-11-22(23(25)26-4-2)24(18-16-20-12-7-5-8-13-20)19-17-21-14-9-6-10-15-21/h3,5-10,12-15,22H,1,4,11,16-19H2,2H3.
What are the key properties of ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate?
ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate has a molecular weight of 351.49 g/mol, XLogP of 4.28, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(2-phenylethyl)amino]pent-4-enoate is sourced from PubChem (CID 59052976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).