[2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

C15H19ClN2O5 — CID 8738375

IUPAC[2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCCCCNC(=O)NC(=O)COC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H19ClN2O5/c1-3-4-7-17-15(21)18-13(19)9-23-14(20)11-8-10(16)5-6-12(11)22-2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,17,18,19,21)
InChIKeyUJEGMRJOCFEEOG-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.13
Rot. Bonds7

About [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

[2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 8738375) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID8738375
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name[2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCCCCNC(=O)NC(=O)COC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H19ClN2O5/c1-3-4-7-17-15(21)18-13(19)9-23-14(20)11-8-10(16)5-6-12(11)22-2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,17,18,19,21)
InChIKeyUJEGMRJOCFEEOG-UHFFFAOYSA-N
XLogP2.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614821
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2647912
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872
[2-(butylcarbamoylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 8952490
[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7235662
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847676
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615975
[2-(butylcarbamoylamino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 8733812
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
[2-(butylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864446
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403

Frequently Asked Questions

What is the IUPAC name of [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 8738375) is [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is CCCCNC(=O)NC(=O)COC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is UJEGMRJOCFEEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5/c1-3-4-7-17-15(21)18-13(19)9-23-14(20)11-8-10(16)5-6-12(11)22-2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,17,18,19,21).
What are the key properties of [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 342.78 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 8738375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).