[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

C21H26N2O6 — CID 30552687

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C21H26N2O6/c1-3-4-11-27-17-9-7-16(8-10-17)21(26)22-13-20(25)29-15-19(24)23(2)14-18-6-5-12-28-18/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,22,26)
InChIKeyUUXKZGRQGKPZCY-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.39
Rot. Bonds11

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate (PubChem CID 30552687) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
PubChem CID30552687
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C21H26N2O6/c1-3-4-11-27-17-9-7-16(8-10-17)21(26)22-13-20(25)29-15-19(24)23(2)14-18-6-5-12-28-18/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,22,26)
InChIKeyUUXKZGRQGKPZCY-UHFFFAOYSA-N
XLogP2.39
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320204
3,4-diethoxy-N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]benzamide
CID 51164219
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884691
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate (CID 30552687) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate is CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The InChIKey is UUXKZGRQGKPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-3-4-11-27-17-9-7-16(8-10-17)21(26)22-13-20(25)29-15-19(24)23(2)14-18-6-5-12-28-18/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,22,26).
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate has a molecular weight of 402.45 g/mol, XLogP of 2.39, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate is sourced from PubChem (CID 30552687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).