[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate

C22H26N2O7 — CID 29394084

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1
InChIInChI=1S/C22H26N2O7/c1-3-23-22(27)24-20(25)15-31-21(26)16-10-11-18(19(14-16)28-4-2)30-13-12-29-17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H2,23,24,25,27)
InChIKeyQRSKGDKXGGZAPO-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.55
Rot. Bonds11

About [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate (PubChem CID 29394084) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
PubChem CID29394084
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1
InChIInChI=1S/C22H26N2O7/c1-3-23-22(27)24-20(25)15-31-21(26)16-10-11-18(19(14-16)28-4-2)30-13-12-29-17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H2,23,24,25,27)
InChIKeyQRSKGDKXGGZAPO-UHFFFAOYSA-N
XLogP2.55
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
CID 27385999
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide
CID 30689941
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556770
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856622
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8572691
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 7500692
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 8952991
(2-benzamido-2-oxoethyl) 4-butoxy-3-methoxybenzoate
CID 42969317
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 29242975

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate (CID 29394084) is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate is CCNC(=O)NC(=O)COC(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate?
The InChIKey is QRSKGDKXGGZAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-3-23-22(27)24-20(25)15-31-21(26)16-10-11-18(19(14-16)28-4-2)30-13-12-29-17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H2,23,24,25,27).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate has a molecular weight of 430.46 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 29394084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).