[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

C18H26N2O5 — CID 8007989

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)NC(=O)NCCC(C)C)cc1
InChIInChI=1S/C18H26N2O5/c1-13(2)10-11-19-18(23)20-16(21)12-25-17(22)9-6-14-4-7-15(24-3)8-5-14/h4-5,7-8,13H,6,9-12H2,1-3H3,(H2,19,20,21,23)
InChIKeyRKRIFRSQDWZAML-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.04
Rot. Bonds9

About [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (PubChem CID 8007989) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
PubChem CID8007989
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)NC(=O)NCCC(C)C)cc1
InChIInChI=1S/C18H26N2O5/c1-13(2)10-11-19-18(23)20-16(21)12-25-17(22)9-6-14-4-7-15(24-3)8-5-14/h4-5,7-8,13H,6,9-12H2,1-3H3,(H2,19,20,21,23)
InChIKeyRKRIFRSQDWZAML-UHFFFAOYSA-N
XLogP2.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate 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

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8904897
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
CID 110307825
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523204
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
CID 8553142
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8534550
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56519933
[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695575
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-methoxybenzoate
CID 7986023
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577808
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (CID 8007989) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCC(=O)NC(=O)NCCC(C)C)cc1.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The InChIKey is RKRIFRSQDWZAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-13(2)10-11-19-18(23)20-16(21)12-25-17(22)9-6-14-4-7-15(24-3)8-5-14/h4-5,7-8,13H,6,9-12H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate has a molecular weight of 350.42 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 8007989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).