[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

C21H30N2O5 — CID 55320204

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESC=C(C)CN(CC)C(=O)COC(=O)CNC(=O)c1ccc(OCCCC)cc1
InChIInChI=1S/C21H30N2O5/c1-5-7-12-27-18-10-8-17(9-11-18)21(26)22-13-20(25)28-15-19(24)23(6-2)14-16(3)4/h8-11H,3,5-7,12-15H2,1-2,4H3,(H,22,26)
InChIKeyFZFMCRDCCIPZGM-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.56
Rot. Bonds12

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate (PubChem CID 55320204) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
PubChem CID55320204
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESC=C(C)CN(CC)C(=O)COC(=O)CNC(=O)c1ccc(OCCCC)cc1
InChIInChI=1S/C21H30N2O5/c1-5-7-12-27-18-10-8-17(9-11-18)21(26)22-13-20(25)28-15-19(24)23(6-2)14-16(3)4/h8-11H,3,5-7,12-15H2,1-2,4H3,(H,22,26)
InChIKeyFZFMCRDCCIPZGM-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55317010
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 41183838
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 30552687
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885655
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 55318805

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate (CID 55320204) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate is C=C(C)CN(CC)C(=O)COC(=O)CNC(=O)c1ccc(OCCCC)cc1.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The InChIKey is FZFMCRDCCIPZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-5-7-12-27-18-10-8-17(9-11-18)21(26)22-13-20(25)28-15-19(24)23(6-2)14-16(3)4/h8-11H,3,5-7,12-15H2,1-2,4H3,(H,22,26).
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate has a molecular weight of 390.48 g/mol, XLogP of 2.56, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate is sourced from PubChem (CID 55320204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).